An experimental and theoretical investigation of the electronic structure of Pd and Pt bis(carbene) complexes

J C  Green; R G  Scurr; P L  Arnold; F G N  Cloke; Polly Arnold

An experimental and theoretical investigation of the electronic structure of Pd and Pt bis(carbene) complexes

J C Green, R G Scurr, P L Arnold, F G N Cloke, Polly Arnold

School of Chemistry

Research output: Contribution to journal › Article › peer-review

Abstract / Description of output

Photoelectron spectra and density functional calculations are reported for M(CN2R2C2H2)(2) (M = Pd, Pt); bonding occurs predominantly through sigma donation from the carbene lone pairs into a metal (d(z)2 + s) hybrid; the corresponding (d(z)2 - s) is destabilised with respect to the other metal orbitals; there is little evidence for pi bonding and the carbene pi orbitals are essentially unperturbed on complexation.

Original language	English
Pages (from-to)	1963-1964
Number of pages	2
Journal	Chemical Communications
Issue number	20
Publication status	Published - 21 Oct 1997

Keywords / Materials (for Non-textual outputs)

CARBENE
LIGANDS

Cite this

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title = "An experimental and theoretical investigation of the electronic structure of Pd and Pt bis(carbene) complexes",

abstract = "Photoelectron spectra and density functional calculations are reported for M(CN2R2C2H2)(2) (M = Pd, Pt); bonding occurs predominantly through sigma donation from the carbene lone pairs into a metal (d(z)2 + s) hybrid; the corresponding (d(z)2 - s) is destabilised with respect to the other metal orbitals; there is little evidence for pi bonding and the carbene pi orbitals are essentially unperturbed on complexation.",

keywords = "CARBENE, LIGANDS",

author = "Green, {J C} and Scurr, {R G} and Arnold, {P L} and Cloke, {F G N} and Polly Arnold",

year = "1997",

month = oct,

day = "21",

language = "English",

pages = "1963--1964",

journal = "Chemical Communications",

issn = "1359-7345",

publisher = "Royal Society of Chemistry",

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TY - JOUR

T1 - An experimental and theoretical investigation of the electronic structure of Pd and Pt bis(carbene) complexes

AU - Green, J C

AU - Scurr, R G

AU - Arnold, P L

AU - Cloke, F G N

AU - Arnold, Polly

PY - 1997/10/21

Y1 - 1997/10/21

N2 - Photoelectron spectra and density functional calculations are reported for M(CN2R2C2H2)(2) (M = Pd, Pt); bonding occurs predominantly through sigma donation from the carbene lone pairs into a metal (d(z)2 + s) hybrid; the corresponding (d(z)2 - s) is destabilised with respect to the other metal orbitals; there is little evidence for pi bonding and the carbene pi orbitals are essentially unperturbed on complexation.

AB - Photoelectron spectra and density functional calculations are reported for M(CN2R2C2H2)(2) (M = Pd, Pt); bonding occurs predominantly through sigma donation from the carbene lone pairs into a metal (d(z)2 + s) hybrid; the corresponding (d(z)2 - s) is destabilised with respect to the other metal orbitals; there is little evidence for pi bonding and the carbene pi orbitals are essentially unperturbed on complexation.

KW - CARBENE

KW - LIGANDS

M3 - Article

SN - 1359-7345

SP - 1963

EP - 1964

JO - Chemical Communications

JF - Chemical Communications

IS - 20

ER -

An experimental and theoretical investigation of the electronic structure of Pd and Pt bis(carbene) complexes

Abstract / Description of output

Keywords / Materials (for Non-textual outputs)

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