Perhaps the hottest topic in the philosophy of chemistry is that of the relationship between chemistry and physics. The problem finds one of its main manifestations in the debate about the nature of molecular structure, given by the spatial arrangement of the nuclei in a molecule. The traditional strategy to address the problem is to consider chemical cases that challenge the definition of molecular structure in quantum–mechanical terms. Instead of taking that top-down strategy, in this paper we face the problem (...) of the reduction of molecular structure to quantum mechanics from a bottom-up perspective: our aim is to show how the theoretical peculiarities of quantum mechanics stand against the possibility of molecular structure, defined in terms of the spatial relations of the nuclei conceived as individual localized objects. We will argue that, according to the theory, quantum “particles” are not individuals that can be identified as different from others and that can be reidentified through time; therefore, they do not have the ontological stability necessary to maintain the relations that can lead to a spatially definite system with an identifiable shape. On the other hand, although quantum chemists use the resources supplied by quantum mechanics with successful results, this does no mean reduction: their “approximations” add certain assumptions that are not justified in the context of quantum mechanics or are even inconsistent with the very formal structure of the theory. (shrink)

In the present paper we address the problem of optical isomerism embodied in the socalled “Hund’s paradox”, which points to the difficulty to account for chirality by means of quantum mechanics. In particular, we explain the answer to the problem proposed by the theory of decoherence. The purpose of this article is to challenge this answer on the basis of a conceptual analysis of the phenomenon of decoherence, that reveals the limitations of the theory of decoherence to solve the difficulties (...) posed by optical isomerism and, in general, by quantum measurement. (shrink)

Electronegativity is a quantified, typical chemical concept, which correlates the ability of chemical species to attract electrons during their contact with other species with measurable quantities such as dissociation energies, dipole moments, ionic radii, ionization potentials, electron affinities and spectroscopic data. It is applied to the description and explanation of chemical polarity, reaction mechanisms, other concepts such as acidity and oxidation, the estimation of types of chemical compounds and periodicity. Although this concept is very successful and widely used, and in (...) spite of the fact that it is still subject to scientific investigations, neither a more than intuitive definition nor a generally accepted, logically clear and standardized quantification model has been developed. In the present work, electronegativity is presented and discussed with respect to its main conceptual and operational continuities and discontinuities. We try to analyze the epistemological status of electronegativity, conceived as a typical notion of chemical sciences. Under ‘epistemological status’ we subsume the issues of its reference, its historical persistence, and the relationship between its measurement and quantification. (shrink)

Although during the last decades the philosophy of chemistry has greatly extended its thematic scope, the main difficulties appear in the attempt to link the chemical description of atoms and molecules and the description supplied by quantum mechanics. The aim of this paper is to analyze how the difficulties that threaten the continuous conceptual link between molecular chemistry and quantum mechanics can be overcome or, at least, moderated from the perspective of BM. With this purpose, in “The quantum-mechanical challenges” section (...) the foundational incompatibility between chemical and SQM descriptions will be briefly recalled. “Bohmian mechanics” section will be devoted to explain the main features of BM. In “Empirical equivalence and underdetermination” section, the consequences of the empirical equivalence between SQM and BM will be discussed. Finally, in the Conclusion, we will stress the scope of the obtained conclusions and the philosophical difficulties that still remain even after adopting BM for foundational purposes. (shrink)

Although during the last decades the philosophy of chemistry has greatly extended its thematic scope, the main difficulties appear in the attempt to link the chemical description of atoms and molecules and the description supplied by quantum mechanics. The aim of this paper is to analyze how the difficulties that threaten the continuous conceptual link between molecular chemistry and quantum mechanics can be overcome or, at least, moderated from the perspective of BM. With this purpose, in “The quantum-mechanical challenges” section (...) the foundational incompatibility between chemical and SQM descriptions will be briefly recalled. “Bohmian mechanics” section will be devoted to explain the main features of BM. In “Empirical equivalence and underdetermination” section, the consequences of the empirical equivalence between SQM and BM will be discussed. Finally, in the Conclusion, we will stress the scope of the obtained conclusions and the philosophical difficulties that still remain even after adopting BM for foundational purposes. (shrink)

The incompatibility within the context of modeling cannot be established simpliciter. The fact that modeling is understood as an activity whose representational power can only be partially established, may minimize the supposed existence of incompatible models. Indeed, it is argued from perspectivism that incompatibility can be dissolved, meaning that it becomes trivial or simply false due to the inherently pragmatic and partial nature of the act of representation and modeling. From this perspective, incompatibility can only be a consequence of a (...) misunderstanding of the very nature of modeling and representation In this sense, in order to tackle this strategy at its root from perspectivism, we will first need to outline the maximal perspectivism thesis, attempting to identify the possible escape routes that perspectivism could find in order to explain incompatibility as an illusory incompatibility. Then, we will analyze Valence Bond Model and Molecular Model of covalent bonds, and we will conclude that the dissuasive strategies used to minimize and/or disregard incompatibility prove to be fruitless. (shrink)

Quantum chemistry is the branch of chemistry whose primary focus is the application of quantum mechanics to chemical systems at the molecular level. Precisely due to its peculiar position between chemistry and physics, in the last times it has begun to engage the interest of the philosophers of chemistry. Nevertheless, in this philosophical field, quantum chemistry has been studied mainly from a historical viewpoint or from a perspective interested on methodological issues. By contrast, the question that will guide this article (...) is: what kind of ontic items are those studied by quantum chemistry? In order to develop the argumentation, first the relevance of the ontological questions will be addressed. Then, it will be considered in what measure the Born-Oppenheimer approximation and the quantum-chemistry concept of electron fit in the quantum theoretical context. Finally, some issues about what quantum chemistry refers to will be discussed. (shrink)

El propósito del presente trabajo consiste en abordar la pregunta por la ontología de la química cuántica. Para ello nos concentraremos en el concepto de enlace químico desde la perspectiva de los dos enfoques a través de los cuales la ecuación de Schrödinger se aplica a los sistemas químicos moleculares: la teoría del enlace de valencia (EV) y la teoría del orbital molecular (OM). Sobre la base de la presentación de ambos enfoques y su comparación, señalaremos que, a pesar de (...) su denominación tradicional, no pueden considerarse estrictamente como teorías científicas, sino que se ajustan mejor a la noción de modelo; en particular, son modelos que incorporan conceptos y leyes tanto del ámbito de la mecánica cuántica como del de la química estructural. Estas consideraciones nos permitirán argumentar que la química cuántica no posee un referente ontológico autónomo, sino que se trata de un ámbito científico cuya vigencia descansa sobre su éxito práctico en el cálculo y la predicción. Finalmente, indicaremos de qué modo los enfoques EV y OM del enlace químico abren una nueva perspectiva respecto de la noción misma de modelo en ciencias empíricas. (shrink)