Pyridine(diimine) Chelate Hydrogenation in a Molybdenum Nitrido Ethylene Complex
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https://figshare.com/articles/dataset/Pyridine_diimine_Chelate_Hydrogenation_in_a_Molybdenum_Nitrido_Ethylene_Complex/7958654
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资源简介:
Addition of H2 gas to the aryl-substituted pyridine(diimine)
molybdenum nitride (iPrPDI)Mo(N)(C2H4) ([1-(N)(η2-C2H4)]; iPrPDI = 2,6-(2,6-iPr2-C6H3NCMe)2C5H3N) in the
presence of the rhodium hydride precatalyst (η5-C5Me5)(py-Ph)Rh(H) ([Rh–H]; py-Ph
= 2-phenylpyridine) resulted in partial hydrogenation of the central
pyridine of the iPrPDI chelate to yield
(iPrTHPDI)Mo(N)(C2H4) ([2-(N)(η2-C2H4)]; iPrTHPDI = 2,6-(2,6-iPr2-C6H3NCMe)2C5H6N). The product, [2-(N)(η2-C2H4)], 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)(η2-C2H4)] was computed
to be thermodynamically viable by DFT.
创建时间:
2019-04-05



