Greatly Enhanced Electron Affinities of Au2nCl Clusters (n = 1–4): Effects of Chlorine Doping | Zendy

Yuan Ma | Zendy; Shen Bian | Zendy; Yingying Shi | Zendy; Xingting Fan | Zendy; Xianglei Kong | Zendy

AI Assistant Blog Pricing

Home ZAIA Blog

Open Access

Greatly Enhanced Electron Affinities of Au_2nCl Clusters (n = 1–4): Effects of Chlorine Doping

Author(s) -

Yuan Ma,

Shen Bian,

Yingying Shi,

Xingting Fan,

Xianglei Kong

Publication year - 2019

Publication title -

acs omega

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.779

H-Index - 40

ISSN - 2470-1343

DOI - 10.1021/acsomega.9b01981

Subject(s) - delocalized electron , electron affinity (data page) , chemistry , affinities , halogen , natural bond orbital , electron , crystallography , metal , molecular orbital , doping , atomic physics , density functional theory , stereochemistry , computational chemistry , molecule , materials science , physics , organic chemistry , alkyl , quantum mechanics , optoelectronics

Au 2 n Cl - ( n = 1-4) clusters are investigated by both laser ablation mass spectrometry and theoretical calculations. It is interesting to find that the electron affinities of neutral Au 2 n Cl ( n = 1-4) clusters are much larger than those of corresponding pure Au 2 n clusters. Among them, the electron affinity of Au 2 Cl is 4.02 eV, which can be defined as a very unique superhalogen that is quite different from classical ones of M n X m (M = metal, X = halogen, and n < m ). Natural bond orbital and highest occupied molecular orbital analyses indicate that the extra electron is predominantly delocalized over the positively charged metal moiety in these anionic Au 2 n Cl - clusters, which is the main reason for the large electron affinities of the corresponding neutral species.

The content you want is available to Zendy users.

Already have an account? Click here to sign in.

Having issues? You can contact us here

Accelerating Research