Nitrosyl isomerism in amorphous Mn(TPP)(NO) solids

Reaction of NO with amorphous Mn(TPP) layers gives two Mn(TPP)(NO) isomers with linear and bent Mn-N-O geometries that reversibly interconvert with changes in temperature. DFT computations predict that the linear complex is the singlet ground state while the bent structure is a triplet state.

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Bibliographic Details
Published in:Chemical communications (Cambridge, England) Vol. 48; no. 99; p. 12088
Main Authors: Kurtikyan, Tigran S, Hayrapetyan, Vardan A, Martirosyan, Garik G, Ghazaryan, Robert K, Iretskii, Alexei V, Zhao, Hailiang, Pierloot, Kristine, Ford, Peter C
Format: Journal Article
Language:English
Published: England 25.12.2012
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ISSN:1364-548X, 1364-548X
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Summary:Reaction of NO with amorphous Mn(TPP) layers gives two Mn(TPP)(NO) isomers with linear and bent Mn-N-O geometries that reversibly interconvert with changes in temperature. DFT computations predict that the linear complex is the singlet ground state while the bent structure is a triplet state.
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ISSN:1364-548X
1364-548X
DOI:10.1039/c2cc37337h