Understanding the reaction mechanism of the oxidative addition of ammonia by (PXP)Ir(i) complexes: the role of the X group

2018 ◽  
Vol 20 (2) ◽  
pp. 1105-1113 ◽  
Author(s):  
J. Munarriz ◽  
E. Velez ◽  
M. A. Casado ◽  
V. Polo
Keyword(s):  
Reaction Mechanism ◽  
Oxidative Addition ◽  
Electron Localization Function ◽  
Pincer Complexes ◽  
Mechanistic Study ◽  
Electron Localization ◽  
Kinetics And Thermodynamics ◽  
Localization Function ◽  
Interacting Quantum Atoms

A mechanistic study on the kinetics and thermodynamics of the oxidative addition of ammonia for a set of five [(PXP)Ir] pincer complexes (X = B, CH, O, N, SiH) is performed combining electron localization function and interacting quantum atoms methodologies.

scholarly journals On the Importance of Clar Structures of Polybenzenoid Hydrocarbons as Revealed by the π-Contribution to the Electron Localization Function

Symmetry ◽  
2010 ◽  
Vol 2 (3) ◽  
pp. 1653-1682 ◽  
Author(s):  
Jun Zhu ◽  
Christian Dahlstrand ◽  
Joshua R. Smith ◽  
Sébastien Villaume ◽  
Henrik Ottosson
Keyword(s):  
Electron Localization Function ◽  
Electron Localization ◽  
Localization Function ◽  
Clar Structures
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