Electronic structure and bonding in hexacoordinate silyl-palladium complexes

Edward C. Sherer; Christopher R. Kinsinger; Bethany L. Kormos; Jason D. Thompson; Christopher J. Cramer

doi:10.1002/1521-3773(20020603)41:11<1953::AID-ANIE1953>3.0.CO;2-H

Electronic structure and bonding in hexacoordinate silyl-palladium complexes

Edward C. Sherer, Christopher R. Kinsinger, Bethany L. Kormos, Jason D. Thompson, Christopher J. Cramer

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Abstract

Pd^II not Pd^VI: Electronic structure calculations indicate that the central palladium atom in the trinuclear Pd compound (see picture) is bonded to two SiH₂R groups and two Si-Si σ bonds, consistent with an oxidation state of Pd^II, not Pd^VI, as might otherwise be inferred from the structural data.

Original language	English (US)
Pages (from-to)	1953-1956
Number of pages	4
Journal	Angewandte Chemie - International Edition
Volume	41
Issue number	11
DOIs	https://doi.org/10.1002/1521-3773(20020603)41:11<1953::AID-ANIE1953>3.0.CO;2-H
State	Published - Jun 3 2002

Keywords

Bond theory
Density functional calculations
Electronic structure
Palladium
Si ligands

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10.1002/1521-3773(20020603)41:11<1953::AID-ANIE1953>3.0.CO;2-H

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title = "Electronic structure and bonding in hexacoordinate silyl-palladium complexes",

abstract = "PdII not PdVI: Electronic structure calculations indicate that the central palladium atom in the trinuclear Pd compound (see picture) is bonded to two SiH2R groups and two Si-Si σ bonds, consistent with an oxidation state of PdII, not PdVI, as might otherwise be inferred from the structural data.",

keywords = "Bond theory, Density functional calculations, Electronic structure, Palladium, Si ligands",

author = "Sherer, {Edward C.} and Kinsinger, {Christopher R.} and Kormos, {Bethany L.} and Thompson, {Jason D.} and Cramer, {Christopher J.}",

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language = "English (US)",

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T1 - Electronic structure and bonding in hexacoordinate silyl-palladium complexes

AU - Sherer, Edward C.

AU - Kinsinger, Christopher R.

AU - Kormos, Bethany L.

AU - Thompson, Jason D.

AU - Cramer, Christopher J.

PY - 2002/6/3

Y1 - 2002/6/3

N2 - PdII not PdVI: Electronic structure calculations indicate that the central palladium atom in the trinuclear Pd compound (see picture) is bonded to two SiH2R groups and two Si-Si σ bonds, consistent with an oxidation state of PdII, not PdVI, as might otherwise be inferred from the structural data.

AB - PdII not PdVI: Electronic structure calculations indicate that the central palladium atom in the trinuclear Pd compound (see picture) is bonded to two SiH2R groups and two Si-Si σ bonds, consistent with an oxidation state of PdII, not PdVI, as might otherwise be inferred from the structural data.

KW - Bond theory

KW - Density functional calculations

KW - Electronic structure

KW - Palladium

KW - Si ligands

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DO - 10.1002/1521-3773(20020603)41:11<1953::AID-ANIE1953>3.0.CO;2-H

M3 - Article

C2 - 19750644

AN - SCOPUS:0037013979

SN - 1433-7851

VL - 41

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JO - Angewandte Chemie - International Edition

JF - Angewandte Chemie - International Edition

IS - 11

ER -

Electronic structure and bonding in hexacoordinate silyl-palladium complexes

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Keywords

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