Coinage metalides: a new class of excess electron compounds with high stability and large nonlinear optical responses

Literature Information

Publication Date 2020-03-20
DOI 10.1039/C9CP06894E
Impact Factor 3.676
Authors

Xiang-Hui Li, Xiao-Ling Zhang, Qiao-Hong Chen, Li Zhang, Jing-Hua Chen, Di Wu, Wei-Ming Sun, Zhi-Ru Li


View Original

Abstract

The possibility of using coinage metal atoms as excess electron acceptors is examined for the first time by designing a new class of M+-1-M′− (M = Li, Na, and K; M′ = Cu, Ag, and Au) compounds termed “coinage metalides” on the basis of an intriguing Janus-type all-cis1,2,3,4,5,6-hexafluorocyclohexane (1) molecule. Under the large facial polarization of 1, the outermost ns1 electrons of alkali metal atoms can be transferred to coinage metal atoms, forming diffuse excess electrons around them. Consequently, the resulting M+-1-Cu− and M+-1-Ag− compounds exhibit significantly large nonlinear optical (NLO) responses. In particular, these novel M+-1-M′− compounds exhibit much higher stability (larger VIEs and Ec values) than that of the corresponding M+·1·M′− (M, M′ = Li, Na, and K) alkalides. We hope this work could open up new possibilities for NLO material design by using coinage metal atoms as excess electron acceptors and, on the other hand, attract more experimental interest and efforts to synthesize such stable compounds in the laboratory.

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Contents

Front/Back Matter

DOI: 10.1039/C0CP90064H

Front cover

Cover

DOI: 10.1039/C0CP90156C

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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