Observation of Main-Group Tricarbonyls [B(CO)3 ] and [C(CO)3 ](+) Featuring a Tilted One-Electron Donor Carbonyl Ligand

Chemistry : a European Journal
Jiwen JianGernot Frenking

Abstract

A combined experimental and theoretical study on the main-group tricarbonyls [B(CO)3 ] in solid noble-gas matrices and [C(CO)3 ](+) in the gas phase is presented. The molecules are identified by comparing the experimental and theoretical IR spectra and the vibrational shifts of nuclear isotopes. Quantum chemical ab initio studies suggest that the two isoelectronic species possess a tilted η(1) (μ1 -CO)-bonded carbonyl ligand, which serves as an unprecedented one-electron donor ligand. Thus, the central atoms in both complexes still retain an 8-electron configuration. A thorough analysis of the bonding situation gives quantitative information about the donor and acceptor properties of the different carbonyl ligands. The linearly bonded CO ligands are classical two-electron donors that display classical σ-donation and π-back-donation following the Dewar-Chatt-Duncanson model. The tilted CO ligand is a formal one-electron donor that is bonded by σ-donation and π-back-donation that involves the singly occupied orbital of the radical fragments [B(CO)2 ] and [C(CO)2 ](+) .

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Citations

Mar 18, 2017·The Journal of Physical Chemistry. a·Xuejiao J Gao, Xingfa Gao
Jan 6, 2017·Physical Chemistry Chemical Physics : PCCP·Ranajit SahaGabriel Merino
Dec 10, 2016·Chemistry : a European Journal·Dayne C GeorgiouJason L Dutton
Oct 18, 2018·Dalton Transactions : an International Journal of Inorganic Chemistry·Jiaye Jin, Mingfei Zhou
Jun 4, 2017·The Journal of Chemical Physics·Jiaye JinMingfei Zhou
Sep 30, 2020·Chemistry : a European Journal·Guohai DengGernot Frenking
Jul 14, 2021·The Journal of Physical Chemistry. a·Jiaye JinMingfei Zhou
Mar 22, 2019·Journal of the American Chemical Society·Wei LuRei Kinjo
Sep 9, 2017·Journal of the American Chemical Society·Hao WangZuowei Xie

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