Molecular Orbital Study of the Bonding and Structure of Organocuprates

K. R. Stewart; J. R. Lever; M. H. Whangbo; J. R. Lever

doi:10.1021/jo00347a019

Molecular Orbital Study of the Bonding and Structure of Organocuprates

K. R. Stewart, J. R. Lever, M. H. Whangbo, J. R. Lever

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Abstract

Structural characteristics of organocuprates were studied by performing molecular orbital calculations on (CH₃)₄Li4, (CH₃)₄Cu₄, (CH₃)₄Cu₂Li₂, (CH₃)₂(CH₃O)₂Cu₂Li₂, and (CH₃)₂(HC≡C)₂Cu₂Li₂. It is found that organocuprates adopt planar structures, and alkyl groups or heteroligands of organocuprates are primarily bonded to copper instead of being equally coordinated to copper and lithium. An implication of these structural aspects of organocuprates on the selective addition to α,β-unsaturated carbonyls is briefly discussed.

Original language	English (US)
Pages (from-to)	1472-1474
Number of pages	3
Journal	Journal of Organic Chemistry
Volume	47
Issue number	8
DOIs	https://doi.org/10.1021/jo00347a019
State	Published - Jan 1 1982
Externally published	Yes

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Organic Chemistry

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title = "Molecular Orbital Study of the Bonding and Structure of Organocuprates",

abstract = "Structural characteristics of organocuprates were studied by performing molecular orbital calculations on (CH3)4Li4, (CH3)4Cu4, (CH3)4Cu2Li2, (CH3)2(CH3O)2Cu2Li2, and (CH3)2(HC≡C)2Cu2Li2. It is found that organocuprates adopt planar structures, and alkyl groups or heteroligands of organocuprates are primarily bonded to copper instead of being equally coordinated to copper and lithium. An implication of these structural aspects of organocuprates on the selective addition to α,β-unsaturated carbonyls is briefly discussed.",

author = "Stewart, {K. R.} and Lever, {J. R.} and Whangbo, {M. H.} and Lever, {J. R.}",

year = "1982",

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doi = "10.1021/jo00347a019",

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T1 - Molecular Orbital Study of the Bonding and Structure of Organocuprates

AU - Stewart, K. R.

AU - Lever, J. R.

AU - Whangbo, M. H.

AU - Lever, J. R.

PY - 1982/1/1

Y1 - 1982/1/1

N2 - Structural characteristics of organocuprates were studied by performing molecular orbital calculations on (CH3)4Li4, (CH3)4Cu4, (CH3)4Cu2Li2, (CH3)2(CH3O)2Cu2Li2, and (CH3)2(HC≡C)2Cu2Li2. It is found that organocuprates adopt planar structures, and alkyl groups or heteroligands of organocuprates are primarily bonded to copper instead of being equally coordinated to copper and lithium. An implication of these structural aspects of organocuprates on the selective addition to α,β-unsaturated carbonyls is briefly discussed.

AB - Structural characteristics of organocuprates were studied by performing molecular orbital calculations on (CH3)4Li4, (CH3)4Cu4, (CH3)4Cu2Li2, (CH3)2(CH3O)2Cu2Li2, and (CH3)2(HC≡C)2Cu2Li2. It is found that organocuprates adopt planar structures, and alkyl groups or heteroligands of organocuprates are primarily bonded to copper instead of being equally coordinated to copper and lithium. An implication of these structural aspects of organocuprates on the selective addition to α,β-unsaturated carbonyls is briefly discussed.

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JF - Journal of Organic Chemistry

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Molecular Orbital Study of the Bonding and Structure of Organocuprates

Abstract

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