Carbon monoxide bonding with Beo and BeCo3: Surprisingly high co stretching frequency of OCBeCO

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

doi:10.1002/anie.201406264

Carbon monoxide bonding with Beo and BeCo3: Surprisingly high co stretching frequency of OCBeCO

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

科研成果: 期刊稿件 › 文章 › 同行评审

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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 p backdonation. The isomers COBeCO₃ and COBeO exhibit redshifted 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 s and p bonds in CO.

源语言	英语
页（从-至）	124-128
页数	5
期刊	Angewandte Chemie - International Edition
卷	54
期	1
DOI	https://doi.org/10.1002/anie.201406264
出版状态	已出版 - 2 1月 2015
已对外发布	是

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title = "Carbon monoxide bonding with Beo and BeCo3: Surprisingly high co stretching frequency of OCBeCO",

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 p backdonation. The isomers COBeCO3 and COBeO exhibit redshifted 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 s and p bonds in CO.",

keywords = "Beryllium carbonate, Bonding analysis, Carbonyl complexes, Donor-acceptor interactions, Matrix isolation",

author = "Mohua Chen and Qingnan Zhang and Mingfei Zhou and Andrada, {Diego M.} and Gernot Frenking",

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T1 - Carbon monoxide bonding with Beo and BeCo3

T2 - Surprisingly high co stretching frequency of OCBeCO

AU - Chen, Mohua

AU - Zhang, Qingnan

AU - Zhou, Mingfei

AU - Andrada, Diego M.

AU - Frenking, Gernot

PY - 2015/1/2

Y1 - 2015/1/2

N2 - 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 p backdonation. The isomers COBeCO3 and COBeO exhibit redshifted 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 s and p bonds in CO.

AB - 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 p backdonation. The isomers COBeCO3 and COBeO exhibit redshifted 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 s and p bonds in CO.

KW - Beryllium carbonate

KW - Bonding analysis

KW - Carbonyl complexes

KW - Donor-acceptor interactions

KW - Matrix isolation

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Carbon monoxide bonding with Beo and BeCo3: Surprisingly high co stretching frequency of OCBeCO

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