The Experts below are selected from a list of 204 Experts worldwide ranked by ideXlab platform
Vanessa A. Seifert - One of the best experts on this subject based on the ideXlab platform.
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The Problem of Molecular Structure Just Is The Measurement Problem
The British Journal for the Philosophy of Science, 2020Co-Authors: Alexander Franklin, Vanessa A. SeifertAbstract: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 understanding of a molecule in isolation, as well as of chemistry’s relation to quantum physics.
Alexander Franklin - One of the best experts on this subject based on the ideXlab platform.
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The Problem of Molecular Structure Just Is The Measurement Problem
The British Journal for the Philosophy of Science, 2020Co-Authors: Alexander Franklin, Vanessa A. SeifertAbstract: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 understanding of a molecule in isolation, as well as of chemistry’s relation to quantum physics.
Michael D. Ward - One of the best experts on this subject based on the ideXlab platform.
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Hydrogen-bonded frameworks for Molecular Structure determination
Nature Communications, 2019Co-Authors: Sishuang Tang, Anna Yusov, James Rose, André Nyberg Borrfors, Michael D. WardAbstract:Single crystal X-ray diffraction is an invaluable tool for Molecular Structure determination, but growing single crystals is often an arduous process. Here the authors find that the Structures of a wide array of molecules can be determined by SCXRD when included in hydrogen-bonded guanidinium organosulfonate host frameworks in a single-step crystallization. Single crystal X-ray diffraction is arguably the most definitive method for Molecular Structure determination, but the inability to grow suitable single crystals can frustrate conventional X-ray diffraction analysis. We report herein an approach to Molecular Structure determination that relies on a versatile toolkit of guanidinium organosulfonate hydrogen-bonded host frameworks that form crystalline inclusion compounds with target molecules in a single-step crystallization, complementing the crystalline sponge method that relies on diffusion of the target into the cages of a metal-organic framework. The peculiar properties of the host frameworks enable rapid stoichiometric inclusion of a wide range of target molecules with full occupancy, typically without disorder and accompanying solvent, affording well-refined Structures. Moreover, anomalous scattering by the framework sulfur atoms enables reliable assignment of absolute configuration of stereogenic centers. An ever-expanding library of organosulfonates provides a toolkit of frameworks for capturing specific target molecules for their Structure determination.
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hydrogen bonded frameworks for Molecular Structure determination
Nature Communications, 2019Co-Authors: Sishuang Tang, Anna Yusov, James Rose, André Nyberg Borrfors, Michael D. WardAbstract:Single crystal X-ray diffraction is arguably the most definitive method for Molecular Structure determination, but the inability to grow suitable single crystals can frustrate conventional X-ray diffraction analysis. We report herein an approach to Molecular Structure determination that relies on a versatile toolkit of guanidinium organosulfonate hydrogen-bonded host frameworks that form crystalline inclusion compounds with target molecules in a single-step crystallization, complementing the crystalline sponge method that relies on diffusion of the target into the cages of a metal-organic framework. The peculiar properties of the host frameworks enable rapid stoichiometric inclusion of a wide range of target molecules with full occupancy, typically without disorder and accompanying solvent, affording well-refined Structures. Moreover, anomalous scattering by the framework sulfur atoms enables reliable assignment of absolute configuration of stereogenic centers. An ever-expanding library of organosulfonates provides a toolkit of frameworks for capturing specific target molecules for their Structure determination.
Sishuang Tang - One of the best experts on this subject based on the ideXlab platform.
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Hydrogen-bonded frameworks for Molecular Structure determination
Nature Communications, 2019Co-Authors: Sishuang Tang, Anna Yusov, James Rose, André Nyberg Borrfors, Michael D. WardAbstract:Single crystal X-ray diffraction is an invaluable tool for Molecular Structure determination, but growing single crystals is often an arduous process. Here the authors find that the Structures of a wide array of molecules can be determined by SCXRD when included in hydrogen-bonded guanidinium organosulfonate host frameworks in a single-step crystallization. Single crystal X-ray diffraction is arguably the most definitive method for Molecular Structure determination, but the inability to grow suitable single crystals can frustrate conventional X-ray diffraction analysis. We report herein an approach to Molecular Structure determination that relies on a versatile toolkit of guanidinium organosulfonate hydrogen-bonded host frameworks that form crystalline inclusion compounds with target molecules in a single-step crystallization, complementing the crystalline sponge method that relies on diffusion of the target into the cages of a metal-organic framework. The peculiar properties of the host frameworks enable rapid stoichiometric inclusion of a wide range of target molecules with full occupancy, typically without disorder and accompanying solvent, affording well-refined Structures. Moreover, anomalous scattering by the framework sulfur atoms enables reliable assignment of absolute configuration of stereogenic centers. An ever-expanding library of organosulfonates provides a toolkit of frameworks for capturing specific target molecules for their Structure determination.
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hydrogen bonded frameworks for Molecular Structure determination
Nature Communications, 2019Co-Authors: Sishuang Tang, Anna Yusov, James Rose, André Nyberg Borrfors, Michael D. WardAbstract:Single crystal X-ray diffraction is arguably the most definitive method for Molecular Structure determination, but the inability to grow suitable single crystals can frustrate conventional X-ray diffraction analysis. We report herein an approach to Molecular Structure determination that relies on a versatile toolkit of guanidinium organosulfonate hydrogen-bonded host frameworks that form crystalline inclusion compounds with target molecules in a single-step crystallization, complementing the crystalline sponge method that relies on diffusion of the target into the cages of a metal-organic framework. The peculiar properties of the host frameworks enable rapid stoichiometric inclusion of a wide range of target molecules with full occupancy, typically without disorder and accompanying solvent, affording well-refined Structures. Moreover, anomalous scattering by the framework sulfur atoms enables reliable assignment of absolute configuration of stereogenic centers. An ever-expanding library of organosulfonates provides a toolkit of frameworks for capturing specific target molecules for their Structure determination.
Olimpia Lombardi - One of the best experts on this subject based on the ideXlab platform.
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Is the problem of Molecular Structure just the quantum measurement problem?
Foundations of Chemistry, 2021Co-Authors: Sebastian Fortin, Olimpia LombardiAbstract: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.
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Why Molecular Structure cannot be strictly reduced to quantum mechanics
Foundations of Chemistry, 2019Co-Authors: Juan Camilo Martínez González, Sebastian Fortin, Olimpia LombardiAbstract: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.
