Abstract
Addition of H 2 gas to the aryl-substituted pyridine(diimine) molybdenum nitride ( iPr PDI)Mo(N)(C 2 H 4 ) ([1-(N)(η 2 -C 2 H 4 )]; iPr PDI = 2,6-(2,6-iPr 2 -C 6 H 3 N=CMe) 2 C 5 H 3 N) in the presence of the rhodium hydride precatalyst (η 5 -C 5 Me 5 )(py-Ph)Rh(H) ([Rh-H]; py-Ph = 2-phenylpyridine) resulted in partial hydrogenation of the central pyridine of the iPr PDI chelate to yield ( iPr THPDI)Mo(N)(C 2 H 4 ) ([2-(N)( η 2 -C 2 H 4 )]; iPr THPDI = 2,6-(2,6-iPr 2 -C 6 H 3 N=CMe) 2 C 5 H 6 N). The product, [2-(N)( η 2 -C 2 H 4 )], was structurally and spectroscopically characterized, and its electronic structure was examined by density functional theory (DFT). The stepwise addition of H atoms from [Rh-H] to [1-(N)( η 2 -C 2 H 4 )] was computed to be thermodynamically viable by DFT.
Original language | English (US) |
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Pages (from-to) | 1682-1687 |
Number of pages | 6 |
Journal | Organometallics |
Volume | 38 |
Issue number | 8 |
DOIs | |
State | Published - Apr 22 2019 |
All Science Journal Classification (ASJC) codes
- Physical and Theoretical Chemistry
- Organic Chemistry
- Inorganic Chemistry