The chemistry of N 2 fixation was inaugurated by Allen and Senoff more than 50 years ago
and then various research teams made considerable amount of progress on making large …

A series of density functional theory (DFT) calculations on the full [MoHIPTN3N] catalyst are
performed to obtain an energy profile of the Schrock cycle. This is a continuation of our …

The quest for functionalization of dinitrogen has been a challenging task for decades, owing
to its high redox potential. The transition metal dinitrogen complex made by Allen and Senoff …

A new strategy has been developed to synthesize N–H bonds from coordinated N2 in trans‐
[W (dppe) 2 (N2) 2](1) using protons generated from H2 in the presence of (C6F5) 3B and 2 …

Chemists have long been pursuing the aim of synthesising practically viable low
temperature catalysts with high stability, activity and selectivity towards the generation of …

DFT studies have been executed on a hypothetical Ru-triamidoamine complex to
understand the possibility of synthesizing ammonia and hydrazine from the dinitrogen at …

Ammonia is an indispensable component for the development of human society due to its
widespread applications and because it is an excellent source of energy. Chemists are …

Synthesis of NH3 and NH2NH2 from dinitrogen using Os‐triamidoamine (1N) and Os‐
triamdiophosphine (1P) complexes as catalysts under ambient reaction conditions is …

Activation of small molecules is one of the important research topics for last decade.
Activation of nitrogen is one among the important small molecule. This work presents a DFT …

DFT calculations have been carried out to check the possibility of reducing dinitrogen to
ammonia and hydrazine using [AH]+[BH]−(which can be generated from H 2) in the …