title: Carbon monoxide bonding with BeO and BeCO3 : surprisingly high CO stretching frequency of OCBeCO3.
abstract: The complexes OCBeCO3 and COBeCO3 have been isolated in a low-temperature neon matrix. The more stable isomer OCBeCO3 has a very high CO stretching mode of 2263 cm(-1) , which is blue-shifted by 122 cm(-1) with respect to free CO and 79 cm(-1) higher than in OCBeO. Bonding analysis of the complexes shows that OCBeO has a stronger OCBeY bond than OCBeCO3 because it encounters stronger π backdonation. The isomers COBeCO3 and COBeO exhibit red-shifted CO stretching modes with respect to free CO. The inverse change of CO stretching frequency in OCBeY and COBeY is explained with the reversed polarization of the σ and π bonds in CO.
authors.affiliation: Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Fudan University, Shanghai 200433 (China).
authors.forename: Mohua
authors.initials: M
authors.lastname: Chen
authors.forename: Qingnan
authors.initials: Q
authors.lastname: Zhang
authors.forename: Mingfei
authors.initials: M
authors.lastname: Zhou
authors.forename: Diego M
authors.initials: DM
authors.lastname: Andrada
authors.forename: Gernot
authors.initials: G
authors.lastname: Frenking
keywords: beryllium carbonate; bonding analysis; carbonyl complexes; donor-acceptor interactions; matrix isolation