Title: Ligand substitution effects in d6 manganese carbonyl complexes - a comparative study of Mn(CO)6+, Mn(CO)5Cl, Mn(CO)5+ and Mn(CO)4Cl
Authors: Pierloot, Kristine ×
Hoet, P
Vanquickenborne, LG #
Issue Date: Jan-1991
Publisher: Elsevier science sa lausanne
Series Title: Inorganica Chimica Acta vol:184 issue:2 pages:147-159
Abstract: Hartree-Fock Roothaan calculations are reported for the ground state and the ligand field excited states of the hexacoordinated complexes Mn(CO)6+ and Mn(CO)5Cl, and the pentacoordinated square pyramids Mn(CO)5+ and Mn(CO)4Cl. The results are used to discuss the validity of the ligand field approach in these organometallics, and the two lowest-lying features in the UV-Vis spectrum of Mn(CO)5Cl have been assigned as ligand field 1A1 --> 1E transitions.
ISSN: 0020-1693
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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