Premium
The Mechanism of Dihydrogen Activation by Frustrated Lewis Pairs Revisited
Author(s) -
Grimme Stefan,
Kruse Holger,
Goerigk Lars,
Erker Gerhard
Publication year - 2010
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.200905484
Subject(s) - frustrated lewis pair , mechanism (biology) , key (lock) , computer science , field (mathematics) , quantum chemical , theoretical physics , chemistry , molecule , physics , lewis acids and bases , quantum mechanics , mathematics , pure mathematics , organic chemistry , catalysis , computer security
A new picture of H 2 activation is given by state‐of‐the‐art quantum chemical calculations of potential energy surfaces and transition states and a thorough theoretical analysis. Key factors for activation of H 2 and other small molecules by so‐called frustrated Lewis pairs (FLP) are entrance (preparation) steps and the electric field strength inside the FLP cavity.