Significant π bonding in coinage metal complexes OCTMCCO− from infrared photodissociation spectroscopy and theoretical calculations.

Autor: Zhou, Yangyu, Liu, Hao, Jin, Xiaoyang, Xing, Xiaopeng, Wang, Xuefeng, Wang, Guanjun, Zhou, Mingfei
Předmět:
Zdroj: Journal of Chemical Physics; 7/7/2022, Vol. 157 Issue 1, p1-8, 8p
Abstrakt: A series of coinage metal complexes in the form of TMC(CO)n (TM = Cu, Ag, Au; n = 0–3) were generated using a laser-ablation supersonic expansion ion source in the gas phase. Mass-selected infrared photodissociation spectroscopy in conjunction with quantum chemical calculations indicated that the TMC(CO)3 complexes contain a linear OCTMCCO core anion. Bonding analyses suggest that the linear OCTMCCO anions are better described as the bonding interactions between a singlet ground state TM+ metal cation and the OC/CCO2− ligands in the singlet ground state. In addition to the strong ligands to metal σ donation bonding components, the π-bonding components also contribute significantly to the metal–ligand bonds due to the synergetic effects of the CO and CCO2− ligands. The strengths of the bonding of the three metals show a V-shaped trend in which the second-row transition metal Ag exhibits the weakest interactions whereas the third–row transition metal Au shows the strongest interactions due to relativistic effects. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index