The debate between ontological reductionists and emergentists in chemistry has revolved around quantum mechanics. What Franklin and Seifert (BJPS 2020) add to the long-running dispute is an attention to the measurement problem. They contend that all three realist interpretations of the quantum formalism capable of resolving the measurement problem also obviate any need for chemical emergence. I push their argument further, arguing that the realist interpretations of quantum mechanics actually subvert the basis for reduction as well, by undercutting the idea (...) that fundamental physical particles are actual parts of molecules. With both reduction and traditional synchronic emergence pictures ruled out, the only option for realists about quantum chemistry is strong Thomistic emergence. (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 problem of the 3N dimensions of the wave function is of particular interest in the philosophy of physics. In this work, we will recall the main positions about the nature and dimensionality of the wave function and we will introduce a new perspective, coming from quantum chemistry. For this, we will bring to light the formal operations that underlie the independent electron approximation. On this basis, we will point out how quantum chemistry can offer new arguments that contribute to (...) the debate about the ontology of wave function. (shrink)

Recent discussions about the microstructure of materials generally focus on the ontological aspects of the molecular structure. However, there are many types of substances that cannot be studied by means of the concept of molecule, for example, salts. For the quantum treatment of these substances, a new particle, called phonon, is introduced. Phonons are generally conceived as a pseudo-particle, that is, a mathematical device necessary to perform calculations but which does not have a "real" existence. In this context, the aim (...) of this paper will be to analyze the ontological status of phonons. For such purposes we will critically analyze the arguments that would account for the presumed nonexistence of phonons. Finally, having already demonstrated that there are not enough reasons to consider phonons as non-existing entities, we will explore some possibilities that allow us to elucidate their ontological status. (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)

The concepts of molecular structure and molecular shape are ubiquitous in the chemical literature, where they are often taken as synonyms, with unavoidable drawbacks in chemistry teaching. A third concept, molecular topology, is less frequent but it is a reference term in molecular research domains such as Quantitative Structure–Activity Relationships. The present paper proposes an epistemological analysis of these three notions, aimed at clarifying the nature of their relationship, as well as the contiguities and differences between them. At first, we (...) discuss the various acceptations of the terms molecular structure and molecular shape. Then, we examine some crucial milestones in the history of these concepts and we analyse the relationship between structure, shape and topology from an epistemological viewpoint. We point out the distinguishing features of each concept and we show that their semantic openness, that may be fruitful in a specialized context, turns into a source of incoherence and inaccuracy in the teaching context, fostered by the misleading use of these terms made by textbooks. Eventually, we propose a criterion fit to discriminate between the conceptual domains of molecular shape, molecular structure and molecular topology. (shrink)