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Carbon monoxide bonding with BeO and BeCO3 : surprisingly high CO stretching frequency of OCBeCO3
Mohua Chen1, Qingnan Zhang, Mingfei Zhou
1Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Fudan University, Shanghai 200433 (China).
Abstract:
The complexes OCBeCO3 and COBeCO3 have been isolated in a low-temperature neon matrix. The more stable isomer OCBeCO3 has a very high CO 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 OCBeY bond than OCBeCO3 because it encounters stronger π backdonation. The isomers COBeCO3 and COBeO exhibit red-shifted CO stretching modes with respect to free CO. The inverse change of CO stretching frequency in OCBeY and COBeY is explained with the reversed polarization of the σ and π bonds in CO.
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