Decentralized Metal–Metal Bonding in the AuNi(CO)₄^– Anion Described Equally Well with Dative Bonding as with Electron-Sharing Bonding

The Journal of Physical Chemistry A, Journal Year: 2025, Volume and Issue: unknown

Published: March 24, 2025

The heterodinuclear AuNi(CO)4- complex is scrutinized in the gas phase by using mass-selected anionic photoelectron velocity-map imaging spectroscopy conjunction with theoretical computations. ground state of characterized to have an Au-Ni bonded structure, consisting AuCO fragment attached Ni center Ni(CO)3 fragment. Comprehensive quantum chemical studies reveal that at equilibrium structure features a decentralized bonding scenario, where exotic metal-metal σ may be equally well described dative as electron-sharing between two fragments.

Language: Английский

Study on the regulation of ε-CL-20 by an external electric field

Journal of Molecular Modeling, Journal Year: 2024, Volume and Issue: 30(8)

Published: July 29, 2024

Language: Английский