Chemistry is the study of the structure and transformation of matter. When Aristotle founded the field in the 4th century BCE, his conceptual grasp of the nature of matter was tailored to accommodate a relatively simple range of observable phenomena. In the 21st century, chemistry has become the largest scientific discipline, producing over half a million publications a year ranging from direct empirical investigations to substantial theoretical work. However, the specialized interest in the conceptual issues arising in chemistry, hereafter Philosophy (...) of Chemistry, is a relatively recent addition to philosophy of science. Philosophy of chemistry has two major parts. In the first, conceptual issues arising within chemistry are carefully articulated and analyzed. Such questions which are internal to chemistry include the nature of substance, atomism, the chemical bond, and synthesis. In the second, traditional topics in philosophy of science such as realism, reduction, explanation, confirmation, and modeling are taken up within the context of chemistry. (shrink)

Along with exploring some of the necessary conditions for the chemistry of our world given what we know about quantum mechanics, I will also discuss a different reductionist challenge than is usually considered in debates on the relationship of chemistry to physics. Contrary to popular belief, classical physics does not have a reductive relationship to quantum mechanics and some of the reasons why reduction fails between classical and quantum physics are the same as for why reduction fails between chemistry and (...) quantum physics. However, a neoreductionist can accept that classical physics has some amount of autonomy from quantum mechanics, but still try to maintain that classical+quantum physics taken as a whole reduces chemistry to physics. I will explore some of the obstacles lying in the neoreductionist’s path with respect to quantum chemistry and thereby hope to shed more light on the conditions necessary for the chemistry of our world. (shrink)

The wave-mechanical treatment of the valence bond, by Walter Heitler and Fritz London, and its ensuing foundational importance in quantum chemistry has been traditionally regarded as the basis for the argument that chemistry may be theoretically reduced to physics. Modern analyses of the reductionist claim focuses on the limitations to achieving full reduction in practice because of the approximations used in modern quantum chemical methods, but neglect the historical importance of the chemical bond as a chemical entity. This paper re-examines (...) these arguments with a study of the development of the valence bond by chemist Gilbert Lewis within a chemically autonomous framework, and its extension by Linus Pauling using Heitler and London’s methods. Here, we see that the chemical bond is best described as a theoretical synthesis or physico-chemical entity, to represent its full interdisciplinary importance from the philosophical and historical perspectives.Keywords: Reductionism; Chemical bond; Linus Pauling; Gilbert Lewis; Heitler–London; Chemical. (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)

In this paper I expand Eric Scerri’s notion of Popper’s naturalised approach to reduction in chemistry and investigate what its consequences might be. I will argue that Popper’s naturalised approach to reduction has a number of interesting consequences when applied to the reduction of chemistry to physics. One of them is that it prompts us to look at a ‘bootstrap’ approach to quantum chemistry, which is based on specific quantum theoretical theorems and practical considerations that turn quantum ‘theory’ into quantum (...) ‘chemistry’ proper. This approach allows us to investigate some of the principles that drive theory formation in quantum chemistry. These ‘enabling theorems’ place certain limits on the explanatory latitude enjoyed by quantum chemists, and form a first step into establishing the relationship between chemistry and physics in more detail. (shrink)

In this paper I investigate two views of theoretical explanation in quantum chemistry, advocated by John Clarke Slater and Charles Coulson. Slater argued for quantum‐mechanical rigor, and the primacy of fundamental principles in models of chemical bonding. Coulson emphasized systematic explanatory power within chemistry, and continuity with existing chemical explanations. I relate these views to the epistemic contexts of their disciplines.

As soon as the SARS‐Cov2 disease was recognized by experts to potentially cause a serious pandemic, a three dimensional diagrammatic image of the virus, colored in strong red, conquered public media globally.This study confronts this iconic virus image with a historic image analysis of 33,000 biomedical articles on coronaviruses published between 1968–2020 and interviews with some of their authors.Only a small fraction of scientific virus publications entail images of the complete virus. Red as an alarm color is not used at (...) all by scientists who don't aim for a non‐scientific public.Circulation in this case concerns the movement of iconic images from a scientific context into a general public. On the basis of hps‐studies on scientific diagrams and especially on color use in scientific diagrams to convey specific messages in public, the paper discusses the role of the claim of public corona‐virus diagram as “scientific.”It points at relevant differences between most frequent scientific corona‐virus images and the diagrammatic image used in public. Both author‐ and readerships (in science and public) follow contrasting aims and values. Thus, the images meet non‐expert readers for whom the images entail very different – and potentially unintended – meanings then to virus experts. (shrink)

We explore the crucial role of diagrams in scientific reasoning, especially reasoning directed at developing mechanistic explanations of biological phenomena. We offer a case study focusing on one research project that resulted in a published paper advancing a new understanding of the mechanism by which the central circadian oscillator in Synechococcus elongatus controls gene expression. By examining how the diagrams prepared for the paper developed over the course of multiple drafts, we show how the process of generating a new explanation (...) vitally involved the development and integration of multiple versions of different types of diagrams, and how reasoning about the mechanism proceeded in tandem with the development of the diagrams used to represent it. (shrink)

This thesis investigates the epistemological and metaphysical relations between chemistry and quantum mechanics. These relations are examined with respect to how chemistry and quantum mechanics each describe a single inert molecule. A review of how these relations are understood in the literature shows that there is a proliferation of positions which focus on how chemistry is separate from quantum mechanics. This proliferation is accompanied by a tendency within the philosophy of chemistry community to connect the legitimacy of the field with (...) the autonomy of chemistry. First, it is argued that this connection should not be made. Secondly, it is argued that chemistry and quantum mechanics are unified in accordance with Harold Kincaid’s model of non-reductive unity because the two theories exhibit particular epistemic and metaphysical interconnections. Thirdly, a metaphysical account is examined which is incompatible with Kincaid’s model of unity; namely strong emergence as understood by Robin Hendry. According to Hendry, the structure of a single inert molecule strongly emerges from its quantum mechanical entities in the sense that there is downward causation. However, Hendry’s defense of this account faces certain problems. Moreover, the putative empirical evidence for his understanding of strong emergence can be explained without invoking strong emergence. This is shown by considering how quantum mechanics assumes an idealized understanding of a molecule’s stability and structure. In the light of the philosophical literature on idealizations, this idealization can be interpreted in two different ways, both of which explain why quantum mechanics describes the structure of a single molecule the way it does, without assuming strong emergence in Hendry’s sense. Each interpretation has philosophical implications regarding the nature of chemical properties, and the relation of chemistry and quantum mechanics. These implications are consistent with Kincaid’s model of unity and thus further support chemistry’s unity with quantum mechanics (as per Kincaid). (shrink)

The aim of this paper is to engage with the interplay between representational content and design in chemistry and to explore some of its epistemological consequences. Constraints on representational content arising from the aspectual structure of representation can be manipulated by design. Designs are epistemologically important because representational content, hence our knowledge of target systems in chemistry, can change with design. The significance of this claim is that while it has been recognised that the way one conveys information makes a (...) difference to the inferences one can draw from representations in spite of the invariance of informational content, the present paper argues that in chemistry and biochemistry it is often the case that designs have cognitive priority relative to informational content. (shrink)

This paper aims to give a substantive account of how Feynman used diagrams in the first lectures in which he explained his new approach to quantum electrodynamics. By critically examining unpublished lecture notes, Feynman’s use and interpretation of both "Feynman diagrams" and other visual representations will be illuminated. This paper discusses how the morphology of Feynman’s early diagrams were determined by both highly contextual issues, which molded his images to local needs and particular physical characterizations, and an overarching common diagrammatic (...) style, which facilitated Feynman’s movement between different diagrams despite their divergent forms and significance. (shrink)

While symbolic colour use has always played a conspicuous role in science research and education, the use of colour in historic diagrams remains a lacuna in the history of science. Investigating the colour use in diagrams often means uncovering a whole cosmology that is not otherwise explicit in the diagram itself. The periodic table is a salient and iconic example of non-mimetic colour use in science. Andreas von Antropoff's (1924) rectangular table of recurrent rainbow colours is famous, as are Alcindo (...) Flores Cabral's (1949) application of colour in his round snail form, using the RGB scheme, and Mazurs's (1967) pine tree system, consisting of warm and cold colours that he attributed to specific groups of elements—an attribution that we can relate back to humoralism and alchemy. From the first periodic tables in the 19th century, individual researchers have used different colour regimes. While standardization may play an obvious role in chemistry and its diagrams, all the more impressive is the anarchistic use of colour in the various diagrams which continue to be created. This article focuses on periodic tables in chemical journals and text books, and explores and compares the development of colour codes found in the few existing polychrome diagrams from the 1920s to the 1970s. (shrink)

I argue that molecules may not have structure in isolation. I support this by investigating how quantum models identify structure for isolated molecules. Specifically, I distinguish between two sets of models: those that identify structure in isolation and those that do not. The former identify structure because they presuppose structural information about the target system via the Born- Oppenheimer approximation. However, it is an idealisation to assume structure in isolation because there is no empirical evidence of this. In fact, whenever (...) structure is empirically examined it is always partially determined by factors that are absent in isolation. Together with the growing empirical evidence that isolated molecules behave in non-classical ways, this shows that the quantum models that do not identify structure are more faithful representations of isolated molecules. (shrink)