Four-coordinate, planar RuII. A triplet state as a response to a 14-valence electron configuration.

Four-coordinate, planar RuII. A triplet state as a response to a 14-valence electron configuration. Research Abstract Details 

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Four-coordinate, planar RuII. A triplet state as a response to a 14-valence electron configuration. Abstract Text:

Lori A Watson,Oleg V Ozerov,Maren Pink,Kenneth G Caulton,

The ligand (tBu2PCH2SiMe2)2N1- (PNP) in [PNP]RuCl leads to an intermediate spin ground state, S = 1, which has been characterized by NMR and X-ray diffraction as having a planar structure. This spin state is attributed in part to N --> Ru pi donation. DFT calculations confirm that the singlet state lies higher in energy and is nonplanar. The molecule is converted to a diamagnetic product by addition of 2 mol of PhCN. The half-filled orbitals of the S = 1 state are suggested to be the reason agostic interactions do not compensate for the 14-valence electron count.

Four-coordinate, planar RuII. A triplet state as a response to a 14-valence electron configuration. Publishing Authors By Initials

LA Watson,OV Ozerov,M Pink,KG Caulton,

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Four-coordinate, planar RuII. A triplet state as a response to a 14-valence electron configuration. Journal Published:

PUBLICATION TYPE: Journal Article

Journal: Journal of the American Chemical Society

VOLUME: 125

Page Numbers: 8426-7

Journal Abbreviation: J. Am. Chem. Soc.

ISSN: 0002-7863

DAY: 16

MONTH: Jul

YEAR: 2003

Four-coordinate, planar RuII. A triplet state as a response to a 14-valence electron configuration. Information

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LANGUAGE: eng

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Grant and Affiliation Information for Four-coordinate, planar RuII. A triplet state as a response to a 14-valence electron configuration.

AFFILIATION: Department of Chemistry and Molecular Structure Center, Indiana University, Bloomington, Indiana 47405, USA.

Country: United States

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MEDLINETA: J Am Chem Soc

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