蔺健妍：Pressure-induced new chemistry论文

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作者蔺健妍,杜鑫,杨国春（2019）在《Pressure-induced new chemistry》一文中研究指出：It has long been recognized that the valence electrons of an atom dominate the chemical properties, while the innershell electrons or outer empty orbital do not participate in chemical reactions. Pressure, as a fundamental thermodynamic variable, plays an important role in the preparation of new materials. More recently, pressure stabilized a series of unconventional stoichiometric compounds with new oxidation states, in which the inner-shell electrons or outer empty orbital become chemically active. Here, we mainly focus on the recent advances in high-pressure new chemistry including novel chemical bonding and new oxidation state, identified by first-principles swarm intelligence structural search calculations.The aim of this review is to provide an up-to-date research progress on the chemical bonding with inner-shell electrons or outer empty orbital, abnormal interatomic charge transfer, hypervalent compounds, and chemical reactivity of noble gases.Personal outlook on the challenge and opportunity in this field are proposed in the conclusion.

Abstract

It has long been recognized that the valence electrons of an atom dominate the chemical properties, while the innershell electrons or outer empty orbital do not participate in chemical reactions. Pressure, as a fundamental thermodynamic variable, plays an important role in the preparation of new materials. More recently, pressure stabilized a series of unconventional stoichiometric compounds with new oxidation states, in which the inner-shell electrons or outer empty orbital become chemically active. Here, we mainly focus on the recent advances in high-pressure new chemistry including novel chemical bonding and new oxidation state, identified by first-principles swarm intelligence structural search calculations.The aim of this review is to provide an up-to-date research progress on the chemical bonding with inner-shell electrons or outer empty orbital, abnormal interatomic charge transfer, hypervalent compounds, and chemical reactivity of noble gases.Personal outlook on the challenge and opportunity in this field are proposed in the conclusion.

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