Premium
Theoretical Study of the Effect of Lewis Acids on Dihydrogen Elimination from Niobocene Trihydrides
Author(s) -
Camanyes Santiago,
Maseras Feliu,
Moreno Miquel,
Lledós Agustí,
Lluch José M.,
Bertrán Juan
Publication year - 1999
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/(sici)1521-3765(19990401)5:4<1166::aid-chem1166>3.0.co;2-4
Subject(s) - lewis acids and bases , computational chemistry , chemistry , transition metal , hydrogen , transition state , dihydrogen complex , hydrogen molecule , combinatorial chemistry , organic chemistry , catalysis , hydride
Theoretical calculations show the stabilizing effect of Lewis acids on the transition states and products generated from the dihydrogen elimination reaction of the niobocene [Cp 2 NbH 3 ] complex (see figure) with three different Lewis acids. This can be of practical importance in processes of storage and elimination of molecular hydrogen by the use of transition metal complexes.