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Efficient Room-Temperature Activation of Methane by TaN+ under C−N Coupling.
- Source :
-
Angewandte Chemie International Edition . 9/12/2016, Vol. 55 Issue 38, p11678-11681. 4p. - Publication Year :
- 2016
-
Abstract
- The thermal reaction of diatomic tantalum nitride cation [TaN]+ with methane has been explored using FT-ICR mass spectrometry complemented by high-level quantum chemical calculation; based on this combined experimental/computational approach, mechanistic aspects of this novel, highly efficient C−N coupling process have been uncovered. In distinct contrast to [TaN]+, its lighter congeners [VN]+ and [NbN]+ are inert towards methane under ambient conditions, and the origins of the remarkably variable efficiencies of the three metal nitrides are uncovered by CCSD(T) calculations. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 14337851
- Volume :
- 55
- Issue :
- 38
- Database :
- Academic Search Index
- Journal :
- Angewandte Chemie International Edition
- Publication Type :
- Academic Journal
- Accession number :
- 117924296
- Full Text :
- https://doi.org/10.1002/anie.201606259