O/C Bond Cleavage of CO2 by Ni(I).

O/C Bond Cleavage of CO2 by Ni(I). Research Abstract Details 

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O/C Bond Cleavage of CO2 by Ni(I). Abstract Text:

Reaction of (PNP)Ni, where PNP is [( (t)Bu 2PCH 2SiMe 2) 2N] (-1), with CO 2 occurs rapidly even at -60 degrees C to form exclusively the product of transposition of the amide N and one CO 2 oxygen: [( (t)Bu 2PCH 2SiMe 2) 2O]Ni(NCO). DFT(B3LYP) evaluation of several candidate intermediates for breaking two Si/N and one C/O bond and forming two Si/O and one N/C bond reveal species at and below the energy of the separated particles, and establish the location of the spin densities in each.

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O/C Bond Cleavage of CO2 by Ni(I). Journal Published:

PUBLICATION TYPE: Journal Article

Journal: Inorganic chemistry

VOLUME: 47

Page Numbers: 1865-7

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ISSN: 0020-1669

DAY: 20

MONTH: 02

YEAR: 2008

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LANGUAGE: eng

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AFFILIATION: caulton@indiana.edu.

Country: United States

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MEDLINETA: Inorg Chem

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