Whether or not quantum physics can account for molecular structure is a matter of considerable controversy. Three of the problems raised in this regard are the problems of molecular structure. We argue that these problems are just special cases of the measurement problem of quantum mechanics: insofar as the measurement problem is solved, the problems of molecular structure are resolved as well. In addition, we explore one consequence of our argument: that claims about the reduction or emergence of molecular structure (...) cannot be settled independently of the choice of a particular resolution to the measurement problem. Specifically, we consider how three standard putative solutions to the measurement problem inform our under- standing of a molecule in isolation, as well as of chemistry’s relation to quantum physics. (shrink)

One of the most plausible and widely discussed examples of strong emergence is molecular structure. The only detailed account of it, which has been very influential, is due to Robin Hendry and is formulated in terms of downward causation. This paper explains Hendry’s account of the strong emergence of molecular structure and argues that it is coherent only if one assumes a diachronic reflexive notion of downward causation. However, in the context of this notion of downward causation, the strong emergence (...) of molecular structure faces three challenges that have not been met and which have so far remained unnoticed. First, the putative empirical evidence presented for the strong emergence of molecular structure equally undermines supervenience, which is one of the main tenets of strong emergence. Secondly, it is ambiguous how the assumption of determinate nuclear positions is invoked for the support of strong emergence, as the role of this assumption in Hendry’s argument can be interpreted in more than one way. Lastly, there are understandings of causation which render the postulation of a downward causal relation between a molecule’s structure and its quantum mechanical entities, untenable. (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)

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)

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)

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)

The modal-Hamiltonian interpretation belongs to the modal family of interpretations of quantum mechanics. By endowing the Hamiltonian with the role of selecting the subset of the definite-valued observables of the system, it accounts for ideal and non-ideal measurements, and also supplies a criterion to distinguish between reliable and non-reliable measurements in the non-ideal case. It can be reformulated in an explicitly invariant form, in terms of the Casimir operators of the Galilean group, and the compatibility of the MHI with the (...) theory of decoherence has been proved. Nevertheless, perhaps its main advantage in the eyes of a scientist is given by its several applications to well-known physical situations, leading to results compatible with experimental evidence. The purpose of this paper is to add a new application to the list: the case of optical isomerism, which is a central issue for the philosophy of physics and of chemistry since it points to the core of the problem of the relationship between physics and chemistry. Here it will be shown that the MHI supplies a direct and physically natural solution to the problem, a solution that does not require putting classical assumptions in “by hand.”. (shrink)

In a recent article entitled “The problem of molecular structure just is the measurement problem”, Alexander Franklin and Vanessa Seifert argue that insofar as the quantum measurement problem is solved, the problems of molecular structure are resolved as well. The purpose of the present article is to show that such a claim is too optimistic. Although the solution of the quantum measurement problem is relevant to how the problem of molecular structure is faced, such a solution is not sufficient to (...) account for the structure of molecules as understood in the field of chemistry. (shrink)

The many-faced relationship between chemistry and physics is one of the most discussed topics in the philosophy of chemistry. In his recent book Reducing Chemistry to Physics. Limits, Models, Consequences, Hinne Hettema conceives this relationship as a reduction link, and devotes his work to defend this position on the basis of a “naturalized” concept of reduction. In the present paper I critically review three kinds of issues stemming from Hettema’s argumentation: philosophical, scientific and methodological.

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)

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)

This thesis develops an account of the nature of wakeful consciousness. Its principal suggestion is that wakeful consciousness is a biological phenomenon and should thus be placed in the context appropriate to biological phenomena. That context is the characterizing form of life of organisms. Once wakeful consciousness is assigned its place in this context, it emerges that wakeful consciousness is a teleological phenomenon, one that is to be understood as having the proper function of putting its bearer in touch with (...) the world. What emerges from reflection on the metaphysics of organisms is an account of wakeful consciousness that is teleological in character but which does not fall foul of the strictures of physicalism and casts new light on recent philosophical debates about consciousness. (shrink)

When young Kant meditated upon the distinction between his right and left hands, he could not foresee that the problem of incongruent counterparts would revive in the twentieth century under a new form. In the early days of quantum chemistry, Friedrich Hund developed the so-called Hund paradox that arises from the supposed inability of quantum mechanics to account for the difference between enantiomers. In this paper, the paradox is expressed as a case of quantum measurement, stressing that decoherence does not (...) offer a way out of the problem. The main purpose is to argue for the need to adopt a clear interpretation of quantum mechanics in order to solve the paradox. In particular, I claim that the Modal-Hamiltonian Interpretation, which conceives measurement as a breaking-symmetry process, supplies the tools required to explain the dextro-rotation or levo-rotation properties of optical isomers. (shrink)

Usually within the context of computer simulations in quantum chemistry practices, there is a distinction between ab initio and semi-empirical methods. Related to this, a controversy within the scientific and philosophical communities came about regarding the superiority of the ab initio methods due to their theoretical rigor. In this article we re-evaluate the condition of the semi-empirical simulations in this area of research. We examine some of the aspects of this debate that have been considered in philosophy and provide additional (...) elements to the analysis. (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)

Thesemanticviewofscientifictheoriesassumesthedependenceofmodelsontheories.Someauthorschal- lenge that assumption by means of the study of certain models conceived as phenomenological. On the basis of the analysis of atomic and molecular models in quantum chemistry, in this article we will argue for an independence of models from theories, which cannot be interpreted as merely historical and context relative. Those models shows a conceptual independence that is constitutive of the modeling process; such independence cannot be conceived as a result of a contingent deficiency of the theory used, (...) deficiency that would be overcome by the future progress of science. (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)