Details

Autor(en) / Beteiligte

• Chen, Mohua
• Zhang, Qingnan
• Zhou, Mingfei
• Andrada, Diego M.
• Frenking, Gernot

Titel

Carbon Monoxide Bonding With BeO and BeCO3: Surprisingly High CO Stretching Frequency of OCBeCO3

Ist Teil von

• Angewandte Chemie (International ed.), 2015-01, Vol.54 (1), p.124-128

Auflage

International ed. in English

Ort / Verlag

Weinheim: WILEY-VCH Verlag

Erscheinungsjahr

2015

Link zum Volltext

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• 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. The carbonyl complex OC→BeCO3 has been isolated in a neon matrix. The CO stretching frequency exhibits a very strong blueshift with respect to free CO that is much higher than in OC→BeO although the donor–acceptor bond is significantly weaker. This is explained with the help of a quantum chemical bonding analysis, which also rationalizes the redshifts of the isomers OC→BeCO3 and OC→BeO.