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币族金属氟化物的矩阵红外光谱和量子化学计算:Ar-AuF、Ne-AuF 和 MF2 和 MF3 分子的比较。

Matrix infrared spectroscopy and quantum-chemical calculations for the coinage-metal fluorides: comparisons of Ar-AuF, Ne-AuF, and Molecules MF2 and MF3.

机构信息

Department of Chemistry, Tongji University, Shanghai, 200092, PR China.

出版信息

Chemistry. 2013 Jan 21;19(4):1397-409. doi: 10.1002/chem.201203306. Epub 2012 Nov 30.

Abstract

The reactions of laser-ablated Au, Ag, and Cu atoms with F(2) in excess argon and neon gave new absorptions in the M-F stretching region of their IR spectra, which were assigned to metal-fluoride species. For gold, a Ng-AuF bond was identified in mixed neon/argon samples. However, this bonding was much weaker with AgF and CuF. Molecules MF(2) and MF(3) (M=Au, Ag, Cu) were identified from the isotopic distribution of the Cu and Ag atoms, comparison of the frequencies for three metal fluorides, and theoretical frequency calculations. The AuF(5) molecule was characterized by its strongest stretching mode and theoretical frequency calculations. Additional evidence was observed for the formation of the Au(2) F(6) molecule.

摘要

激光烧蚀的 Au、Ag 和 Cu 原子与过量的 Ar 和 Ne 中的 F2 反应,在它们的红外光谱的 M-F 伸缩区域产生了新的吸收,这些吸收被归因于金属氟化物物种。对于金,在混合的 Ne/Ar 样品中鉴定出了 Ng-AuF 键。然而,AgF 和 CuF 的这种键合要弱得多。通过比较三种金属氟化物的频率、Cu 和 Ag 原子的同位素分布以及理论频率计算,鉴定出了 MF2 和 MF3(M=Au、Ag、Cu)分子。通过最强的伸缩模式和理论频率计算,对 AuF5 分子进行了表征。还观察到了 Au2F6 分子形成的更多证据。

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