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Efficient Room‐Temperature Activation of Methane by TaN + under C−N Coupling
Author(s) -
Zhou Shaodong,
Li Jilai,
Schlangen Maria,
Schwarz Helmut
Publication year - 2016
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.201606259
Subject(s) - methane , nitride , tantalum , chemistry , diatomic molecule , tantalum nitride , oxidative coupling of methane , mass spectrometry , inert gas , inert , analytical chemistry (journal) , inorganic chemistry , computational chemistry , molecule , organic chemistry , layer (electronics) , chromatography
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.