TY - JOUR
T1 - Steric Effects on Dinitrogen Cleavage by Three-Coordinate Molybdenum(IH) Complexes
T2 - A Molecular Mechanics Study
AU - Hahn, Jutta
AU - Landis, Clark R.
AU - Nasluzov, Vladimir A.
AU - Neyman, Konstantin M.
AU - Rösch, Notker
PY - 1997
Y1 - 1997
N2 - The universal force field approach is used to investigate the steric demand in nitrogen molecule cleavage by three-coordinate molybdenum complexes MoL3 of different ligund types L (L = NH2, NMe2, N(mesityl)(tertbutyl). O(tert-butyl), Me, tert-butyl, neopentyl). Calculated geometries of the intermediates L3Mo-N2-MoL3, of the products L3MoN, and of the undersifable side product dimers L3MoMoL3 are presented. The primary role of ligand sterics appears to be the prevention of dimerization of MoL3 monomers.
AB - The universal force field approach is used to investigate the steric demand in nitrogen molecule cleavage by three-coordinate molybdenum complexes MoL3 of different ligund types L (L = NH2, NMe2, N(mesityl)(tertbutyl). O(tert-butyl), Me, tert-butyl, neopentyl). Calculated geometries of the intermediates L3Mo-N2-MoL3, of the products L3MoN, and of the undersifable side product dimers L3MoMoL3 are presented. The primary role of ligand sterics appears to be the prevention of dimerization of MoL3 monomers.
UR - http://www.scopus.com/inward/record.url?scp=0000997559&partnerID=8YFLogxK
U2 - 10.1021/ic961466e
DO - 10.1021/ic961466e
M3 - Article
AN - SCOPUS:0000997559
SN - 0020-1669
VL - 36
SP - 3947
EP - 3951
JO - Inorganic Chemistry
JF - Inorganic Chemistry
IS - 18
ER -