Lessons learned and lessons to be learned for developing homogeneous transition metal complexes catalyzed reduction of N2 to ammonia
C Sivasankar, S Baskaran, M Tamizmani… - Journal of …, 2014 - Elsevier
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 …
and then various research teams made considerable amount of progress on making large …
Free Reaction Enthalpy Profile of the Schrock Cycle Derived from Density Functional Theory Calculations on the Full [MoHIPTN3N] Catalyst
W Thimm, C Gradert, H Broda, F Wennmohs… - Inorganic …, 2015 - ACS Publications
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 …
performed to obtain an energy profile of the Schrock cycle. This is a continuation of our …
Molybdenum bound nitrogen‐doped graphene catalyst for reduction of N2 to NH3 and NH2NH2, using FLP as a co‐catalyst: A DFT study: N2 reduction by FLP‐H2 …
AK Sivan, JM Thomas, TC Jeyakumar… - Applied …, 2022 - Wiley Online Library
Chemists have long been pursuing the aim of synthesising practically viable low
temperature catalysts with high stability, activity and selectivity towards the generation of …
temperature catalysts with high stability, activity and selectivity towards the generation of …
Possibility of reducing the coordinated dinitrogen into ammonia and hydrazine using [Ru-L] (L = triamidoamine) and FLP-H: A DFT study
T Christopher Jeyakumar, S Baskaran… - Journal of Chemical …, 2018 - Springer
DFT studies have been executed on a hypothetical Ru-triamidoamine complex to
understand the possibility of synthesizing ammonia and hydrazine from the dinitrogen at …
understand the possibility of synthesizing ammonia and hydrazine from the dinitrogen at …
Reduction of N2 by H2 to NH3 and N2H4 using [MoL](L= triamidoamine) and organic co-catalysts: A theoretical approach
S Baskaran, C Sivasankar - Journal of Molecular Catalysis A: Chemical, 2013 - Elsevier
A new methodology is proposed and tested by Density Functional Theory (DFT) calculations
to reduce N2 to NH3 and N2H4 using H2 in the presence of [Mo {(NHCH2CH2) 3N}] and …
to reduce N2 to NH3 and N2H4 using H2 in the presence of [Mo {(NHCH2CH2) 3N}] and …
Detection of Unusual Reaction Intermediates during the Conversion of W(N2)2(dppe)2 to W(H)4(dppe)2 and of H2O into H2
B Eguillor, PJ Caldwell, MCR Cockett… - Journal of the …, 2012 - ACS Publications
W (N2) 2 (dppe-κ2P) 2 reacts with H2 to form WH3 {Ph (C6H4) PCH2CH2PPh2-κ2 P}(dppe-
κ2 P) and then W (H) 4 (dppe-κ2 P) 2. When para-hydrogen is used in this study, polarized …
κ2 P) and then W (H) 4 (dppe-κ2 P) 2. When para-hydrogen is used in this study, polarized …
Dinitrogen reduction using ruthenium coordinated by nitrogen‐doped graphene and cobalt complex coordinated by anionic PNP pincer ligand as catalysts and …
AK Sivan, JM Thomas… - Applied Organometallic …, 2023 - Wiley Online Library
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 …
widespread applications and because it is an excellent source of energy. Chemists are …
A comparative study of the potential of [Os{(NHCH2CH2)3X}] catalysts (XN, P) for the reduction of dinitrogen to ammonia and hydrazine using FLP‐H2 as a co …
AK Sivan, C Sivasankar - Applied Organometallic Chemistry, 2023 - Wiley Online Library
Synthesis of NH3 and NH2NH2 from dinitrogen using Os‐triamidoamine (1N) and Os‐
triamdiophosphine (1P) complexes as catalysts under ambient reaction conditions is …
triamdiophosphine (1P) complexes as catalysts under ambient reaction conditions is …
Ammonia and hydrazine synthesis from [N2-W {(NHCH2CH2) 3N}] and [AH]+[BH]− using Sivasankar catalytic cycle: DFT studies
S Baskaran, C Sivasankar - Computational and Theoretical Chemistry, 2014 - Elsevier
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 …
ammonia and hydrazine using [AH]+[BH]−(which can be generated from H 2) in the …
Pincer Ligand Supported Fe Complex Catalysed Dinitrogen Reduction to NH3 Using FLP‐H2 as the Hydrogen Source: DFT Studies
P Natrajan, HA Khan, D Masilamani - ChemistrySelect, 2023 - Wiley Online Library
Synthesising ammonia at low temperature and catalyst with high stability, selectivity and
activity other than Haber Bosch process and enzymatic process is still a challenging task for …
activity other than Haber Bosch process and enzymatic process is still a challenging task for …