A DFT study on the electron affinity of tetrachloro-p-benzoquinone: Toward to understanding its electron-accepting ability in solution

Article ID	Journal	Published Year	Pages	File Type
5394376	Computational and Theoretical Chemistry	2013	23 Pages	PDF

Abstract

âº Solvent effects on the electron affinity of TCBQ have been studied theoretically. âº The geometry of TCBQ has been significantly influenced upon capturing an electron. âº Both the bulk solution and explicit water molecules can enhance the EAs of TCBQ.

Keywords

electron affinity Density functional theory (DFT)

Related Topics

Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry

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A DFT study on the electron affinity of tetrachloro-p-benzoquinone: Toward to understanding its electron-accepting ability in solution

Authors

Ping Li, Wei-hua Wang, Hai-tao Sun, Si-wei Bi,