The entry of resonance into chemistry, or the reception of the theory of resonance in the chemical community, has drawn considerable attention from historians of science. In particular, they have noted Pauling's ¯amboyant yet effective style of exposition, which became a factor in the early popularity of the resonance theory in comparison to the molecular orbital theory, another way of applying quantum mechanics to chemical problems.$ To be sure, the non-mathematical presentation of the resonance theory by Pauling and his collaborator, (...) George Wheland, helped to facilitate the reception ; but this presentation was vulnerable to the confusion that arose among chemists owing to the similarity between resonance and tautomerism, or between foreign and indigenous concepts. The reception occurred at the expense of serious misunderstandings about resonance. This paper investigates the ways in which Pauling and Wheland taught, and taught about, the theory of resonance, especially their ways of coping with the difficulties of translating a quantum-mechanical concept into chemical language. Their different strategies for teaching resonance theory deserve a thorough examination, not only because the strategies had to do with their solutions of the philosophical question whether resonance is a real phenomenon or not, and whether the theory of resonance is a chemical theory or a mathematical method of approximation, but also because this examination will illuminate the role of chemical translators in the transmission of knowledge across disciplinary boundaries. (shrink)

Philosophy of Chemistry—A New Interdisciplinary Field? What could possibly be the connection between chemistry and philosophy, apart from the obvious superficial one of their both representing quests for knowledge? How do contemporary chemists and philosophers generally view one another? These are some of the questions I will try to put before going on to describe the connections that have recently been forged between these two seemingly very diverse fields of academic study.

Eric Scerri and other authors have acknowledged that the reality of chemical orbitals is not compatible with quantum mechanics. Recently, however, Scerri and Sharon Crasnow have argued that if chemists cannot consider orbitals as real entities, then chemistry is in danger of being reduced to physics. I argue that the question of the existence of orbitals is best viewed as an issue of explanation, not metaphysics: In many chemically important cases orbitals do not make sufficiently accurate predictions, and must be (...) replaced. Chemists and physicists can acknowledge this fact while maintaining the utility of orbitals and the autonomy of chemistry. (shrink)

Sometimes a theory is interpreted realistically--i.e., as literally true--whereas sometimes a theory is interpreted instrumentalistically--i.e., as merely a convenient device for summarizing, systematizing, deducing, etc., a given body of observable facts. This paper is part of a program aimed at determining the basis on which scientists decide on which of these interpretations to accept a theory. I proceed by examining one case: the nineteenth-century debates about the existence of atoms. I argue that there was a gradual transition from an instrumentalist (...) to a realistic acceptance of the atomic theory, because of gradual increases in its predictive power, the "testedness" of its hypotheses, the "determinateness" of its quantities, and because of resolutions of doubts about the acceptability of its basic explanatory concepts. (shrink)

Differing views on reduction are briefly reviewed and a suggestion is made for a working definition of 'approximate reduction'. Ab initio studies in quantum chemistry are then considered, including the issues of convergence and error bounds. This includes an examination of the classic studies on CH2 and the recent work on the Si2C molecule. I conclude that chemistry has not even been approximately reduced.

Most contemporary chemists consider quantum mechanics to be the foundational theory of their discipline, although few of the calculations that a strict reduction would seem to require have ever been produced. In this essay I discuss contemporary algebraic and diagrammatic representations of molecular systems derived from quantum mechanical models, specifically configuration interaction wavefunctions for ab initio calculations and molecular orbital energy diagrams. My aim is to suggest that recent dissatisfaction with reductive accounts of chemical theory may stem from both the (...) inability of standard accounts of reduction to incorporate the diverse forms of representation found in chemical practice and our philosophical predilection to analyze all connections between theories in terms of logical reduction. (shrink)

In this paper we will discuss some of the issues related to the attempts of Ralph Howard Fowler and Nevil Vincent Sidgwick to create a legitimizing space for quantum and theoretical chemistry in Britain. Although neither Fowler nor Sidgwick made original contributions to quantum chemistry, they followed closely the developments in the discipline, participated in meetings and discussions and delivered lectures, talks and addresses, where methodological topics, ontological questions and implicitly the problem of autonomy of the new discipline vis-à-vis both (...) physics and chemistry were taken to be pressing issues. In particular, they encouraged young people to work within the nascent discipline. Viewing quantum chemistry as a branch of applied mathematics became an emblematic characteristic of the practice of the new discipline in Great Britain. (shrink)

A selective history of the benzene problem is presented, starting with August Kekulé's proposal of a hexagonal structure in 1865 and his hypothesis of 1872 that the carbon–carbon bonds oscillate between single and double. Only those theories are included that were accepted or at least discussed by a significant number of chemists. Special attention is given to predictions, their empirical tests, and the effect of the outcomes of those tests on the reception of the theories. At the end of the (...) period covered by this article, chemists generally accepted the valence bond theory proposed by Linus Pauling; some of them considered this a more sophisticated version of Kekulé's oscillation hypothesis. The sequel describes the replacement of the valence bond theory by the molecular orbital theory in the period ending around 1980. (shrink)