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Unsaturated Organometallic Intermediates: Electronic Structure and Structural Dynamics of (η 5 ‐C 5 H 5 )Mn(CO) 2
Author(s) -
Hofmann Peter
Publication year - 1977
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.197705361
Subject(s) - valence (chemistry) , electronic structure , group 2 organometallic chemistry , ground state , electron counting , valence electron , planar , crystallography , electron , chemistry , atomic physics , materials science , chemical physics , physics , computational chemistry , molecule , nuclear physics , computer graphics (images) , organic chemistry , computer science
“Half‐sandwich” molecular fragments of the type (C n H n )ML 2 having only 16 electrons in their valence shell are important intermediates. The questions of “planar” (1a) or “pyramidal” ground state geometry (1b) and of energy barriers are examined for the model system CpMn(CO) 2 .