Journal
NEW JOURNAL OF CHEMISTRY
Volume 36, Issue 3, Pages 562-565Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c2nj20929b
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Funding
- Department of Science and Technology (DST), New Delhi, India [SR/FT/CS-055/2008]
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A new methodology has been proposed to reduce the molecular dinitrogen to ammonia in [WF(PH2(CH2)(2)PH2)N-2] (1) and tested for thermodynamic feasibility by DFT calculations in three different solvents. The calculated barriers for 1 revealed that N-2 can be reduced by H-2 in organic solvents.
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