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Electronegativity and chemical hardness of elements under pressure.

ABSTRACT: SignificanceOver the years, many unusual chemical phenomena have been discovered at high pressures, yet our understanding of them is still very fragmentary. Our paper addresses this from the fundamental level by exploring the key chemical properties of atoms-electronegativity and chemical hardness-as a function of pressure. We have made an appropriate modification to the definition of Mulliken electronegativity to extend its applicability to high pressures. The change in atomic properties, which we observe, allows us to provide a unified framework explaining (and predicting) many chemical phenomena and the altered behavior of many elements under pressure.

SUBMITTER: Dong X

PROVIDER: S-EPMC8915985 | biostudies-literature | 2022 Mar

REPOSITORIES: biostudies-literature

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Electronegativity and chemical hardness of elements under pressure.

Dong Xiao X Oganov Artem R AR Cui Haixu H Zhou Xiang-Feng XF Wang Hui-Tian HT

Proceedings of the National Academy of Sciences of the United States of America 20220301 10

SignificanceOver the years, many unusual chemical phenomena have been discovered at high pressures, yet our understanding of them is still very fragmentary. Our paper addresses this from the fundamental level by exploring the key chemical properties of atoms-electronegativity and chemical hardness-as a function of pressure. We have made an appropriate modification to the definition of Mulliken electronegativity to extend its applicability to high pressures. The change in atomic properties, which ...[more]

PMID: 35238642

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Electronegativity and chemical hardness of elements under pressure.

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Electronegativity and chemical hardness of elements under pressure.

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