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Turning Frustration into Bond Activation: A Theoretical Mechanistic Study on Heterolytic Hydrogen Splitting by Frustrated Lewis Pairs
Author(s) -
Rokob Tibor András,
Hamza Andrea,
Stirling András,
Soós Tibor,
Pápai Imre
Publication year - 2008
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200705586
Subject(s) - frustrated lewis pair , heterolysis , borane , steric effects , chemistry , frustration , hydrogen bond , intermolecular force , boranes , phosphine , molecule , computational chemistry , lewis acids and bases , stereochemistry , physics , condensed matter physics , organic chemistry , catalysis , boron
Just before splitting : A mechanistic model has been proposed for H 2 activation by sterically demanding phosphine–borane Lewis pairs. There is theoretical evidence for noncovalent intermolecular association of donor–acceptor molecules to form a flexible but energetically strained complex, which provides preorganized active centers for heterolytic HH bond cleavage (see picture).