The covalent bond, a difficult concept to define precisely, plays a central role in chemical predictions, interventions, and explanations. I investigate the structural conception of the covalent bond, which says that bonding is a directional, submolecular region of electron density, located between individual atomic centers and responsible for holding the atoms together. Several approaches to constructing molecular models are considered in order to determine which features of the structural conception of bonding, if any, are robust across (...) these models. Key components of the structural conception are absent in all but the simplest quantum mechanical models of molecular structure, seriously challenging the conception’s viability. †To contact the author, please write to: Department of Philosophy, University of Pennsylvania, 433 Cohen Hall, Philadelphia, PA 19104‐6304; e‐mail: [email protected]. (shrink)

Developments in the application of quantum mechanics to the understanding of the chemical bond are traced with a view to examining the evolving conception of the covalent bond. Beginning with the first quantum mechanical resolution of the apparent paradox in Lewis’s conception of a shared electron pair bond by Heitler and London, the ensuing account takes up the challenge molecular orbital theory seemed to pose to the classical conception of the bond. We will see that (...) the threat of delocalisation can be overstated, although it is questionable whether this should be seen as reinstating the issue of the existence of the chemical bond. More salient are some recent developments in a longstanding discussion of how to understand the causal aspects of the bonding interaction—the nature of the force involved in the covalent link—which are taken up in the latter part of the paper. (shrink)

Quantum physics is the foundation for chemistry, but the concept of chemical bonding is not easily reconciled with quantum mechanical models of molecular systems. The quantum theory of atoms in molecules, developed by Richard F.W. Bader and colleagues, seeks to define bonding using a topological analysis of the electron density distribution. The “bond paths” identified by the analysis are posited as indicators of a special pairwise physical relationship between atoms. While elements of the theory remain subject to (...) debate, I argue that QTAIM embodies a distinctive interactive conception of bonding that is an attractive alternative to others previously discussed. (shrink)

Robin Hendry has presented an account of two equally valid ways of understanding the nature of chemical bonding, consisting of what the terms the structural and the energetic views respectively. In response, Weisberg has issued a “challenge to the structural view”, thus implying that the energetic view is the more correct of the two conceptions. In doing so Weisberg identifies the delocalization of electrons as the one robust feature that underlies the increasingly accurate quantum mechanical calculations starting with the (...) Heitler-London method and moving on to such approaches as the valence bond and molecular orbital theories of chemical bonding. The present article provides a critical evaluation of Weisberg’s article and concludes that he fails to characterize the nature of chemical bonding in several respects. I claim that Hendry’s structural and energetic views remain as equally viable ways of understanding chemical bonding. Whereas the structural view is more appropriate for chemists, the energetic view is preferable to physicists. Neither view is more correct unless one subscribes to the naively reductionist view of considering that the more physical energetic view is the more correct one. (shrink)

Weisberg’s recent paper on the chemical bond makes the claim that the chemical notion of the covalent bond is in trouble. This note casts doubts on that claim.

Periodic tables (PTs) are the ‘ultimate paper tools’ of general and inorganic chemistry. There are three fields of open questions concerning the relation between PTs and physics: (i) the relation between the chemical facts and the concept of a periodic system (PS) of chemical elements (CEs) as represented by PTs; (ii) the internal structure of the PS; (iii)␣The relation between the PS and atomistic quantum chemistry. The main open questions refer to (i). The fuzziness of the concepts (...) of chemical properties and of chemical similarities of the CE and their compounds guarantees the autonomy of chemistry. We distinguish between CEs, Elemental Stuffs and Elemental Atoms. We comment on the basic properties of the basic elements. Concerning (ii), two sharp physical numbers (nuclear charge and number of valence electrons) and two coarse fuzzy ranges (ranges of energies and of spatial extensions of the atomic orbitals, AOs) characterize the atoms of the CEs and determine the two-dimensional structure of the PS. Concerning (iii), some relevant ‘facts’ about and from quantum chemistry are reviewed and compared with common ‘textbook facts’. What counts in chemistry is the whole set of nondiffuse orbitals in low-energy average configurations of chemically bonded atoms. Decisive for the periodicity are the energy gaps between the core and valence shells. Diffuse Rydberg orbitals and minute spin–orbit splittings are important in spectroscopy and for philosophers, but less so in chemical science and for the PS. (shrink)

In this article I sketch G. N. Lewis’s views on chemical bonding and Linus Pauling’s attempt to preserve Lewis’s insights within a quantum‐mechanical theory of the bond. I then set out two broad conceptions of the chemical bond, the structural and the energetic views, which differ on the extent in which they preserve anything like the classical chemical bond in the modern quantum‐mechanical understanding of molecular structure. †To contact the author, please write to: Department (...) of Philosophy, Durham University, 50 Old Elvet, Durham DH1 3HN, UK; e‐mail: [email protected]. (shrink)

The status of the chemical bond has long been a controversial issue with the increasing distance between quantum chemists’ theoretical understanding of molecular stability and the ideas of experimental chemists. Some aspects of the development of the concept of a hydrogen bond are discussed with a view to assessing its import on the general question.

What chemists take as molecular structure is a theoretical construct based on the concepts of chemical bond, atoms in molecules, etc. and hence it should be distinguished from tangible structures around us. The practical adequacy of it has been demonstrated by the established method of retro-synthetic analysis, for instance. But it is not derived a priori from quantum mechanical treatments of the molecule and criticized for being irrelevant to the reality of the molecule. There is persistent skepticism about (...) it. The present study aims to overcome this skepticism by having recourse to the concepts of affordance and phenomenal field. The basic idea of our approach is suggested by the following statement of Niels Bohr: ‘evidence obtained under different experimental conditions cannot be comprehended within a single picture but must be regarded as complementary in the sense that only the totality of the phenomena exhausts the possible information about the objects’. This implies that we should take account of a context in which the cognition of a fact arises when we think about human activities including science. This can be realized by invoking affordances of a complex such as {agent, devices, methods, substances, surroundings}. That is to say, affordances are context-relative dispositional attributes of {agent-material world} complexes as is asserted by Harré and Llored. The phenomenal field is a conceptual device which schematizes the contextual aspect of affordance and, more importantly, serves as a link between the concept of affordance and Kant’s theory of knowledge, by which alone affordances are realized as the dispositional properties of {agent-material world} complexes. Because affordances become actualized in various phenomenal fields, affordances of one and the same object may well be distinct from one another. In conclusion we can take that molecular structure is the affordance of a complex that includes a chemist who is engaged in organic synthesis, whereas a quantum mechanical picture of the molecule may be one of the possible affordances of a complex that includes a quantum chemist who cares about electronic states of the molecule. (shrink)

While the principal ideas of a systems theory for the molecular sciences have been introduced in part I (Reiher, 2003), illustrative examples for the ingredients of this systems chemistry are discussed in greater detail in this work. The potential wealth of systems chemistry is then demonstrated for a recently developed approach for the calculation of hydrogen bond energies in non-decomposable systems.

The history of the hydrogen bond provides a good example of the of an important chemical concept. It illustrates the interplay between empirical and theoretical approaches to the problem of delimiting what has proved to be quite an elusive notion, with chemists whittling away at the particular sorts of case with a view to obtaining a precise, unitary concept. Even though there is a return to a more theoretically inspired notion in more recent research, empirical characterisations (...) remain a feature of the report of a Task Group recently set up by the IUPAC to reconsider the definition of the hydrogen bond, and this situation—by no means unusual for chemical concepts and principles—is unlikely to change in the foreseeable future. These developments are reviewed in this paper, which includes an extended discussion of the enormous significance hydrogen bonding has for the philosopher’s standard example of a “natural kind”, water. There is little to suggest a reduction to what philosophers of physics are pleased to call fundamental principles, and the details raise further questions about what essentialists could possibly have in mind when talking about the microscopic essence of water. (shrink)

The concepts of atoms and bonds in molecules which appeared in chemistry during the nineteenth century are unavoidable to explain the structure and the reactivity of the matter at a chemical level of understanding. Although they can be criticized from a strict reductionist point of view, because neither atoms nor bonds are observable in the sense of quantum mechanics, the topological and statistical interpretative approaches of quantum chemistry (quantum theory of atoms in molecules, electron localization function and maximum probability (...) domain) provide consistent definitions which accommodate chemistry and quantum mechanics. (shrink)

Arthur Clark and Michael Kube–McDowell (“The Triger”, 2000) suggested the sci-fi idea about the direct transformation from a chemical substance to another by the action of a newly physical, “Trigger” field. Karl Brohier, a Nobel Prize winner, who is a dramatic persona in the novel, elaborates a new theory, re-reading and re-writing Pauling’s “The Nature of the Chemical Bond”; according to Brohier: “Information organizes and differentiates energy. It regularizes and stabilizes matter. Information propagates through matter-energy and mediates (...) the interactions of matter-energy.” Dr Horton, his collaborator in the novel replies: “If the universe consists of energy and information, then the Trigger somehow alters the information envelope of certain substances –“. “Alters it, scrambles it, overwhelms it, destabilizes it” Brohier adds. There is a scientific debate whether or how far chemistry is fundamentally reducible to quantum mechanics. Nevertheless, the fact that many essential chemical properties and reactions are at least partly representable in terms of quantum mechanics is doubtless. For the quantum mechanics itself has been reformulated as a theory of a special kind of information, quantum information, chemistry might be in turn interpreted in the same terms. Wave function, the fundamental concept of quantum mechanics, can be equivalently defined as a series of qubits, eventually infinite. A qubit, being defined as the normed superposition of the two orthogonal subspaces of the complex Hilbert space, can be interpreted as a generalization of the standard bit of information as to infinite sets or series. All “forces” in the Standard model, which are furthermore essential for chemical transformations, are groups [U(1),SU(2),SU(3)] of the transformations of the complex Hilbert space and thus, of series of qubits. One can suggest that any chemical substances and changes are fundamentally representable as quantum information and its transformations. If entanglement is interpreted as a physical field, though any group above seems to be unattachable to it, it might be identified as the “Triger field”. It might cause a direct transformation of any chemical substance by from a remote distance. Is this possible in principle? (shrink)

The historical development of the understanding of water is traced in the light of the development of the general concept of chemical substance. From the times of the earliest known ancient Greek philosophers, water has played a central role in the conception of the material constitution of the world. But it was Aristotle who developed the most sophisticated understanding of water to have come down to us from the ancients. He viewed it as part of an intricate and (...) systematic theory of chemical substance, which classified water as an element along with earth, fire and air. His view exerted a considerable influence on Arabic and European thinkers throughout the Middle Ages, and wasn’t successfully challenged until the eighteenth century. After Lavoisier, it was recognised that water, though unlike air a single substance and not a mixture, is neither an element nor always liquid. General features of chemical substances, distinguishing elements, compounds and mixtures, were elaborated in a general theory and harmonised with the mechanical features of matter towards the end of the nineteenth century. Finally, the continuous conception of matter underlying the Aristotelian view, which had been unsuccessfully challenged in the seventeenth century, was definitely overturned in the twentieth century, and the intricate microstructure of water was revealed. (shrink)

Ursula Klein has argued that Geoffroy’s table of chemical affinities, published in 1718, marked the emergence of the concepts of chemical compound and chemical combination central to chemistry. In this paper her position is summarised and then modified to render it immune to criticism that has been levelled against it. The essentials of Geoffroy’s chemistry are clarified and adapted to Klein’s picture by way of a detailed comparison of it with Boyle’s corpuscular chemistry that proceeded Geoffroy’s by (...) over half a century. The idea that Geoffroy’s notion of chemical combination marked a significant turning point in the emergence of modern chemistry is defended against the charge that it is Whiggish. (shrink)

The placement of hydrogen in the periodic table has unique implications for fundamental questions of chemical behavior. Recent arguments in favor of placing hydrogen either separately at the top of the table or as a member of the carbon family are shown to have serious defects. A Coulombic model, in which all compounds of hydrogen are treated as hydrides, places hydrogen exclusively as the first member of the halogen family and forms the basis for reconsideration of fundamental concepts in (...) bonding and structures. The model provides excellent descriptive and predictive ability for structures and reactivities of a wide range of substances. (shrink)

The concept of a “chemical speciation”, as defined by in the year 2000, is grounded in an empiricist semantics. It is a static concept, as it is associated with the ontological category of the chemical state of the distribution of chemical species in a system and is further restricted to chemical species of a single element as it excludes chemical species with more complex chemical systemic subunits, such as molecular species, crystals, or (...) nanoparticles. In this work, we propose a new definition of “chemical speciation” based on a semantics of meaning, applying Mario Bunge’s philosophical system. Chemical speciation is the distribution of chemical systemic subunits amongst defined chemical species in a system. Additionally, we propose two dynamic concepts associated with chemical speciation: chemical species transformation and chemical species evolution. These concepts aim to account for the chemical changes that explain both the diversity of chemical species sharing common systemic subunits and the historical emergence of new modes of chemical speciation. These modes, in turn, explain the appearance of new systemic chemical subunits and novel substantial properties. Our definitions have the advantage of being consistent with general theories of the evolution of matter, such Assembly Theory. Additionally, at the chemical level, this approach encompasses broader systemic chemical subunits beyond elemental particles, allowing for the chemical speciation of families of molecules, crystals, nanoparticles, etc. Finally, our proposal offers the advantage of overcoming the issue of arbitrariness in choosing the reference systemic chemical subunit by linking this choice to the concepts of substantial property, and function. (shrink)

The paper explores Karl Leonhard Reinhold’s remarkable philosophical turn from 1801, in which he defends a system of Rational Realism centred on the insight that the concept of thinking is the only appropriate starting point for philosophising. Reinhold does not consider the faculty of thinking solely to be distinct from the faculty of intuiting anymore. Rather, he emphasises that thinking is not at all to be understood as representing, which is first and foremost to say: it is by no (...) means based on the relation between subject and object. By introducing this distinction, Reinhold intends to keep thinking free from connotations of the activity of thinking and the thinking subject. Instead, thinking is to be understood in the sense of a structure of thought and as objective thinking. At the same time, this distinction is supposed to express that thinking is not primarily thinking about an object. According to Reinhold, we can only speak of thinking about an object when it comes to the level of the application of thinking, and not at the level of thinking itself. This corresponds with Reinhold’s view that thinking is to be understood as a structure of thought which is more original than the manifestations of thinking in its basic elements “concept”, “judgment” and “inference”. (shrink)

The problem of the reduction of chemistry to physics has been traditionally addressed in terms of classical structural chemistry and standard quantum mechanics. In this work, we will study the problem from the perspective of the Quantum Theory of Atoms in Molecules, proposed by Richard Bader in the nineties. The purpose of this article is to unveil the role of QTAIM in the inter-theoretical relations between chemistry and physics. We argue that, although the QTAIM solves two relevant obstacles to reduction (...) by providing a rigorous definition of chemical bond and of atoms in a molecule, it appeals to concepts that are unacceptable in the quantum–mechanical context. Therefore, the QTAIM fails to provide the desired reduction. On the other hand, we will show that the QTAIM is more similar to Bohmian mechanics and that the basic elements of both theories are closely related. (shrink)

An examination of some of the writings in the medical and mineralogical texts of Persia in the Middle Ages, written in the Arabic language during the caliphate period, revealed an inconsistency concerning the modern chemical identity of the substance called zinjafr, which was recognized as a medication for wounds, burns, mange, and cavities. Although some of the literature identified it as the important ore cinnabar sulfide), some questioned that identification or even ambiguously described it as a substance produced from (...) lead. A modern chemical study was conducted and identified the latter substance as minium. The reason for the medieval authors not distinguishing between those two compounds is discussed and the fact that the dictionaries of modern written Arabic commonly have the words zinjafr and cinnabar listed as equivalents is also explored. Further, the ability of Arabic alchemy to distinguish between cinnabar and minium is assessed in light of modern chemistry.Graphical abstractA 1973 Soviet postage stamp celebrating the 1000th anniversary of al-Biruni’s birth. (shrink)

This paper investigates a well-known case of simultaneous discovery in twentieth-century chemistry, the origins of the concept of hybridisation, in the light of Kuhn's insights. There has been no ambiguity as to who discovered this concept, when it was "rst in print, and how important it was. The full-#edged form of the concept was published in 1931 independently by two American scientists John C. Slater (1900}1976) and Linus Pauling (1901}1994), although both of them had made their ideas (...) public earlier: Slater at the American Physical Society meetings in 1930, and Pauling in the Proceedings of the National Academy of Sciences in 1928. Slater and Pauling both argued for the necessity of using an s orbital as well as three p orbitals in the carbon atom in order to explain carbon's four valences and the tetrahedral structure of methane. The metaphor &hybridisation' for denoting this mix of s and p orbitals was "rst used by Robert S. Mulliken and J. H. Van Vleck before gaining currency with the scienti"c community around 1935.2 The concept of hybridisation was indeed indispensable for extending the quantum-mechanical interpretation of the chemical bond as an electron pairing from diatomic molecules to polyatomic ones. To be sure, the emergence of hybridisation attests to scientists' growing interest in exploring the borderland between physics and chemistry, a trend that led to the creation of physical chemistry in the late nineteenth century and of chemical physics and quantum chemistry in the 1920s and 30s. Slater and Pauling themselves experienced and on many occasions talked about the fruitfulness of interdisciplinary research; and historians have legitimately illuminated their works by examining them in this broad context.3 Yet the careful analysis of their research notes and published papers reveals that Slater and Pauling were working in quite disparate disciplinary traditions, with di!erent approaches, for di!erent audiences, and towards di!erent goals. The aim of this paper is to explore their di!erent routes to a common destination*hybridisation*and thereby to explicate tensions existing between physics and chemistry amidst the institutional and conceptual overlapping of the two disciplines. (shrink)

It is argued that some elusive “entropic” characteristics of chemical bonds, e.g., bond multiplicities (orders), which connect the bonded atoms in molecules, can be probed using quantities and techniques of Information Theory (IT). This complementary perspective increases our insight and understanding of the molecular electronic structure. The specific IT tools for detecting effects of chemical bonds and predicting their entropic multiplicities in molecules are summarized. Alternative information densities, including measures of the local entropy deficiency or its displacement (...) relative to the system atomic promolecule, and the nonadditive Fisher information in the atomic orbital resolution(called contragradience) are used to diagnose the bonding patterns in illustrative diatomic and polyatomic molecules. The elements of the orbital communication theory of the chemical bond are briefly summarized and illustrated for the simplest case of the two-orbital model. The information-cascade perspective also suggests a novel, indirect mechanism of the orbital interactions in molecular systems, through “bridges” (orbital intermediates), in addition to the familiar direct chemical bonds realized through “space”, as a result of the orbital constructive interference in the subspace of the occupied molecular orbitals. Some implications of these two sources of chemical bonds in propellanes, π-electron systems and polymers are examined. The current–density concept associated with the wave-function phase is introduced and the relevant phase-continuity equation is discussed. For the first time, the quantum generalizations of the classical measures of the information content, functionals of the probability distribution alone, are introduced to distinguish systems with the same electron density, but differing in their current(phase) composition. The corresponding information/entropy sources are identified in the associated continuity equations. (shrink)

Though complex networks have been widely applied in the research of chemistry, there is hardly any introduction about the establishment of networks using chemical bonds. In this paper, we consider chemical elements as a system linked by chemical bonds and create the undirected chemical bond network by abstracting nodes from elements and undirected edges from bonds. Connectivity, heterogeneity, small world and disassortativity of this network show the macro structural rationality of this system. The degree and (...) k-order neighbors of an element, which represent the micro topology of this network, can be used to measure its chemical reactivity and detect how many kinds of compounds it can form. The similarity between two elements is measured by the Jaccard index and the VOS mapping technique, results of which are similar to well-known similarities between elements shown by the periodic table. The establishment and topological analysis of this network provide another way to understand and study elements and bonds, and more chemical properties of elements and bonds can be studied by complex networks. (shrink)

The concept of molecular structure is one of the most important concepts of chemistry. In fact, molecular structure is closely related to the concept of chemical substance and its set of properties, and it is the main factor in the explanation of reactivity. In fact, much of the behavior of substances is explained in terms of the structure of their component molecules. This may explain why people tend to take the notion of molecular structure for granted. However, (...) the problem begins already when it comes to specifying the concept, since there is no clear definition of ‘molecular structure’ valid for all chemistry. The purpose of the present article is to show that the term ‘molecular structure’ subsumes very different notions, which depend on how the molecule and its components are conceived, and each of which brings its own difficulties. In particular, we will focus on how the molecule and its structure are devised from a classical view and from a quantum–mechanical view, and will discuss the different problems related with molecular structure that arise in each case. (shrink)

The concept of extent of reaction was discussed many times in physical chemistry journals and books. This contribution strongly suggests the use of the extent of reaction as standard basic tool in teaching stoichiometry. The same idea was suggested several times in the past without success because the concept of extent of reaction is still not presented in the first-year general chemistry textbooks. It is also remarked that the concept of extent of reaction represents a simple example (...) of the way of attaining a mathematization of chemistry, that is chemistry thought and made with the mathematical way of thinking, i.e. using variables, symbols and functions. Presenting the concept of the extent of reaction within the general chemistry curriculum will support successive physical chemistry courses, as these courses make extensive use of this powerful concept when teaching thermodynamics and kinetics of chemical reactions. (shrink)

This paper explores the use of chemical symbolism in works by the new media artist Sonya Rapoport, with a focus on the pivotal Cobalt series from the late 1970s. These works, drawings on computer printouts generated by research at the Lawrence Berkeley Laboratory, respond to experiments in nuclear chemistry. They mark the beginning of three productive decades in which Rapoport produced a variety of images related to chemistry in her work. She states, “I looked for authentic research projects that (...) were interesting to me, preferably with captivating pictorial subject matter. Then came the creative chaotic process of resolving a cohesive product that combined scientific research with art concept.” Rapoport had an unusual degree of access to scientific materials through her husband, organic chemist Henry Rapoport, a faculty member at the University of California, Berkeley. At the time of production, these works were outside mainstream art world interests and they have received little critical attention. This paper examines the development of Rapoport’s images and places her use of chemical references in context in her lifetime of work. (shrink)

There is a persisting debate about what chemical bonds are and whether they exist. I argue that chemical bonds are real patterns of interactions between subatomic particles. This proposal resolves the problems raised in the context of existing understandings of the chemical bond and provides a novel way to defend the reality of chemical bonds.

The introduction of Western chemical theories was a landmark in the development of modern science in China. The way such theories were introduced and assimilated not only illustrates the historical circumstances of the transmission and development of modern science in China, but also reflects the conflict between modern scientific concepts and traditional values in a non-European setting. The major part of the most important theories were introduced into China by 1901 and became the fundamental materials for building the subject. (...) These theories and concepts were fresh to the Chinese and inevitably made a significant impact and influence which extended beyond the development of the science itself. (shrink)

This treatise presents thoughts on the divide that exists in chemistry between those who seek their understanding within a universe wherein the laws of physics apply and those who prefer alternative universes wherein the laws are suspended or ‘bent’ to suit preconceived ideas. The former approach is embodied in the quantum theory of atoms in molecules (QTAIM), a theory based upon the properties of a system’s observable distribution of charge. Science is experimental observation followed by appeal to theory that, upon (...) occasion, leads to new experiments. This is the path that led to the development of the molecular structure hypothesis—that a molecule is a collection atoms with characteristic properties linked by a network of bonds that impart a structure—a concept forged in the crucible of nineteenth century experimental chemistry. One hundred and fifty years of experimental chemistry underlie the realization that the properties of some total system are the sum of its atomic contributions. The concept of a functional group, consisting of a single atom or a linked set of atoms, with characteristic additive properties forms the cornerstone of chemical thinking of both molecules and crystals and Dalton’s atomic hypothesis has emerged as the operational theory of chemistry. We recognize the presence of a functional group in a given system and predict its effect upon the static, reactive and spectroscopic properties of the system in terms of the characteristic properties assigned to that group. QTAM gives physical substance to the concept of a functional group. (shrink)

According to classical molecular chemistry, molecules have a structure, that is, they are sets of atoms with a definite arrangements in space and held together by chemical bonds. The concept of molecular structure is central to modern chemical thought given its impressive predictive power. It is also a very useful concept in chemistry education, due to its role in the rationalization and visualization of microscopic phenomena. However, such a concept seems to find no place in (...) the ontology described by quantum mechanics, since it appeals to classical notions such as the position of the atomic nuclei or the individuality of electrons. Although this problem has attracted the attention of several authors, the discussion is far from settled. Some authors adopt an explicitly reductionist position and advocate to reconstruct the concept of molecular structure within the framework of the quantum theory. Others, although acknowledging the conceptual discontinuity between quantum mechanics and molecular chemistry, keep the hope of future reduction alive. From an explicitly non-reductionist position, on the contrary, others authors conceive molecular structure as an emergent phenomenon. The purpose of this article is to propose a different line of argumentation to address this problem. By contrast to reduction and emergence, the admission of a multiplicity of ontologies, not necessarily linked by hierarchical connections, cancels the need of finding a relation of dependence between the molecular level and the quantum level. This ontologically pluralist position can be applied to the issue of molecular structure, in order to argue that it is possible to admit the existence of structure in the ontology of molecular chemistry, in spite of the fact that it does not exist in the quantum world. (shrink)

During the second half of the nineteenth century, electronegativity has been one of the most relevant chemical concepts to explain the relationships between chemical substances and their possible reactions. Specifically, EN is a property of the substances that allows them to attract external electrons in bonding situations. The problem arises because EN cannot be measured directly. Indeed, the only way to measure it is through different properties that do can be directly measured, for instance enthalpy, ionization energies or (...) electron affinities. What is particularly troubling about this case in quantum chemistry is that the different models used to describe and quantify EN are incompatible but, in a certain sense, equivalent because the same EN scale results in all of them. By analyzing Linus Pauling’s and Robert Mulliken’s models of EN, it will be argued that, if we remain cling to a traditional representative conception of models, we cannot understand the meaning of the information provided by those models. Indeed, if we do not want to adopt an instrumentalist point of view concerning chemical knowledge, we should reconsider by virtue of what a model represents the system, or, in other words, which the factors that determine the representative power of a model are. I will propose a new perspective that incorporates the role of experimental techniques in the very notion of representation; this perspective allows us to understand how supposedly incompatible models of the same target system can be both simultaneously representative. (shrink)

This volume presents essays analysing the ambivalent history of the globally influential political and social concept of community and the paradigms it has engendered in academia and politics.

Vasily Sesemann’s manuscript Self-Knowledge, Self-Consciousness and Objectification explores the relationship of consciousness with self-consciousness and the subconscious, as well as various forms of objectification of consciousness. This manuscript can be attributed to a group of manuscript texts that discuss the origin of consciousness and the metaphysical relationship between matter and spirit. Sesemann studied consciousness, describing it as an intentional experience and rejecting its naturalistic explanations. Sesemann revealed the irreducibility of life to physiological chemical processes and, at the same time, (...) rejected the dualistic opposition of spirit and matter, soul, and body. The article aims to show that the concept of consciousness formulated by Sesemann is phenomenological. The philosopher rejects naturalistic and objectivist explanations of consciousness. Consciousness must be explored as an experiential subjectivity, not as an object. Sesemann criticizes naturalistic psychology and argues that consciousness is an intentional activity in the world. Consciousness is embodied self-awareness and empathic connection with other living beings. (shrink)

Determination of the structure of the nucleic acids involved inter alia identification of the ring atom of the purines to which ribose or deoxyribose was attached. This in turn depended on knowledge of the ring atoms that could be so substituted and hence that were bonded to replaceable hydrogens. In 1897 E. Fischer adopted a convention of depicting this hydrogen at position 7 of the purine ring, although he was aware that it was equally correct to depict it at position (...) 9. Many later workers apparently came to believe that the 7H structure was more than just a convention, and considered that the sugar was attached solely at position 7 and could not be attached to position 9. When evidence was presented in 1933 that the sugar was in fact attached to position 9, the force of this convention apparently was so strong that many were reluctant to accept this evidence. More than 20 years was required for complete acceptance of the new view, and Fischer's convention was still being used in other contexts until at least 1967. (shrink)

During a few years beginning in 1927 rough quantum mechanical calculations of the energy of the ground states with simple wave functions based upon certain models were made for H 2 + , H2, and He 2 + . These calculations provided much insight into the nature of the chemical bond, a concept formulated empirically in the 19th century, and of the chemists' classical valence-bond theory, also formulated in the 19th century. Moreover, ideas suggested by the (...) rough calculations permitted the valence-bond theory to be greatly refined and made more powerful. Extensive knowledge about the properties of atomic nuclei was obtained only after quantum mechanics had been discovered. Nuclear physicists have for the most part striven to carry out very accurate quantum mechanical calculations of nuclear properties, with results that are often in excellent agreement with experiment. I suggest that rough calculations based on simple models might give additional insight and suggest new experiments. (shrink)

Philosophers have long debated ‘substrate’ and ‘bundle’ theories as to how properties hold together in objects ― but have neglected to consider that every chemical entity is defined by closure of relationships among components ― here designated ‘Closure Louis de Broglie.’ That type of closure underlies the coherence of spectroscopic and chemical properties of chemical substances, and is importantly implicated in the stability and definition of entities of many other types, including those usually involved in philosophic discourse (...) ― such as roses, statues, and tennis balls. Characteristics of composites are often presumed to ‘supervene on’ properties of components. This assumption does not apply when cooperative interactions among components are significant. Once correlations dominate, then adequate descriptions must involve different entities and relationships than those that are involved in ‘fundamental-level’ description of similar but uncorrelated systems. That is to say, descriptions must involve different semantics than would be appropriate if cooperative interactions were insignificant. This is termed ‘Closure Henri Poincaré. Networks of chemical reactions that have certain types of closure of processes display properties that make other more-complex coherences possible. This is termed ‘Closure Jacques Cauvin.’ Each of these three modes of closure provides a sufficient basis for warranted recognition of causal interaction, thus each of them has epistemological significance. Other modes of epistemologically-important closure probably exist. It is important to recognize that causal efficacy generally depends on closure of relationships of constituents. (shrink)

ion and Ideation - The Semantics of chemical and biological fundamental concepts. The methods of abstraction and ideation are indispensable tools to introduce new concepts in a scientific terminology. The latter is paradigmatically introduced within the 'protophysical program' whereas abstraction is commonly applied in logics and mathematics. The application within the reconstruction of chemistry and biology causes several problems. Ideation appears to be inadequate whereas the application of abstraction necessitates a critical and minute examination of the corresponding equivalence relations. (...) These problems are solved by the introduction of the method of materially-synthetic abstraction which is exemplified by the introduction of the chemical concept of 'substance' and the biological concept of 'hereditary factor'. (shrink)

In Absolute Music: The History of an Idea, author Mark Evan Bonds examines how writers have struggled to isolate the essence of music in ways that account for its profound effects on the human spirit. By carefully tracing the evolution of absolute music from Ancient Greece through the Middle Ages to twentieth-century America, Bonds provides the first comprehensive history of this pivotal concept, and provokes new thoughts on the essence of music and how this essence explains music's effect. A (...) long awaited book from one of the most respected senior scholars in the field. (shrink)

Producers, traders, and consumers oforganic food regularly use the concept of thenatural (naturalness) to characterize organicagriculture and or organic food, in contrast tothe unnaturalness of conventional agriculture.Critics sometimes argue that such use lacks anyrational (scientific) basis and only refers tosentiment. In our project, we made an attemptto clarify the content and the use of theconcepts of nature and naturalness in organicagriculture, to relate this conception todiscussions within bioethical literature, andto draw the implications for agriculturalpractice and policy.Qualitative interviews were executed (...) with arange of people in the field of organicagriculture and with consumers of organicproducts, on the basis of a list of statementsabout the meaning of the concept of naturalnessformulated by the authors. Based on the resultsof the interviews, we distinguished 3 aspectsof the concept of naturalness: natural as theorganic (life processes), natural as theecological, and natural as referring to thecharacteristic nature of an entity. We relatedthese conceptual aspects to three mainapproaches within the field of organicagriculture: the no chemicals approach, theagro-ecological approach, and the integrityapproach. It became clear that these approachescan also be recognized in the change ofattitude of farmers as they convert fromconventional to organic agriculture, and in theattitudes of consumers of organic foodproducts. (shrink)

Mereology is the logic of part—whole concepts as they are used in many different contexts. The old chemical metaphysics of atoms and molecules seems to fit classical mereology very well. However, when functional attributes are added to part specifications and quantum mechanical considerations are also added, the rules of classical mereology are breached in chemical discourses. A set theoretical alternative mereology is also found wanting. Molecular orbital theory requires a metaphysics of affordances that also stands outside classical mereology.

Two different models for chemical bond were developed almost simultaneously after the Schrödinger formulation of quantum theory. These are known as the valence bond (VB) and molecular orbital (MO) theories. Initially chemists preferred the VB theory and ignored the MO theory. Now the VB theory is almost dropped out of currency. The context of discovery and Linus Pauling’s overpowering influence gave the VB theory its initial advantage. The current universal acceptance of the MO theory is due to (...) its ability to provide direct interpretation of many different types of experiments now being pursued. In current research both localized bonds and delocalized charge distributions play important roles and the MO theory has been successful in giving a good account of both. (shrink)

By moving away from the traditional reductionist reading of the quantum theory of atoms in molecules, in this paper we analyze the role played by QTAIM in the relationship between molecular chemistry and quantum mechanics from an emergentist perspective. In particular, we show that such a relationship involves two steps: an intra-domain emergence and an inter-domain emergence. Intra-domain emergence, internal to quantum mechanics, results from the fact that the electron density, from which all the other QTAIM’s concepts are defined, arises (...) from the wavefunction as a coarse-grained magnitude. Inter-domain emergence involves an analogical link, a mapping, between QTAIM’s entities, such as topological atoms and bond paths, and the entities that populate the molecular-chemistry domain, such as chemical atoms and chemical bonds. (shrink)

The idea of “place” has become a topic of growing interest in environmental ethics literature. I explore a variety of issues surrounding the conceptualization of “place” in bioregional theory. I show that there is a necessary vagueness in bioregional definitions of region or place because these concepts elude any purely objective, geographically literal categorization. I argue that this elusiveness is in fact a great meritbecause it calls attention to a more essential “subjective” and experiential geography of place. I use a (...) reading of Aldo Leopold’s Sand Country Almanac as an example of the value of a non-literalistic geography for the understanding of place. (shrink)

My objective is a better comprehension of two theoretically fundamental concepts. One, the concept of a substance in an ordinary (non-Aristotelian) sense, ranging over such things as salt, carbon, copper, iron, water, and methane – kinds of stuff that now count as (chemical) elements and compounds. The other I’ll call the object-concept in the abstract sense of Russell, Wittgenstein, and Frege in their logico-semantical enquiries. The material object-concept constitutes the heart of our received logico / ontic (...) system, still massively influenced by Aristotle after almost 2.5 millennia. On such an account, the fundamentality of material objects and their attributes are the metaphysical basis of the cosmos, as reflected in our received logic, Quine’s ‘canonical notation’ – derived via the empiricism of Russell from Frege’s function-based Begriffschrifft, and consisting of concrete singular terms and variables, quantifiers and predicate-expressions. The inadequacy of Frege’s approach to understanding concepts is reflected in his initial question. Frege enquires of ‘what it is that we are calling an object’, remarking that he regards a regular definition as impossible: “we have here something too simple to admit of logical analysis”. The imagined ultimacy or simplicity of the idea of a single object (arithmetically, just a unit – one as against two, three, four, etc.) as foundational to the calculus is just that – imagined. It is also guaranteed to block the comprehension of the substance-concept. (shrink)