Title: Nitrosyl isomerism in amorphous Mn(TPP)(NO) solids
Authors: Kurtikyan, Tigran S. ×
Hayrapetyan, Vardan A.
Martirosyan, Garik G.
Ghazaryan, Robert K.
Iretskii, Alexei V.
Zhao, Hailiang
Pierloot, Kristine
Ford, Peter C. #
Issue Date: 2012
Publisher: Royal Society of Chemistry
Series Title: Chemical Communications vol:48 issue:99 pages:12088-12090
Abstract: 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.
ISSN: 1359-7345
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Quantum Chemistry and Physical Chemistry Section
× corresponding author
# (joint) last author

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