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Title: Pyridine(diimine) Chelate Hydrogenation in a Molybdenum Nitrido Ethylene Complex

Abstract

Addition of H 2 gas to the aryl-substituted pyridine(diimine) molybdenum nitride ( iPrPDI)Mo(N)(C 2H 4) ([1-(N)(η2-C2H4)]; iPrPDI = 2,6-(2,6-iPr 2-C 6H 3N=CMe) 2C 5H 3N) in the presence of the rhodium hydride catalyst (η 5-C 5Me 5)(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)(C 2H 4) ([2-(N)(η2-C2H4)]; iPrTHPDI = 2,6-(2,6-iPr 2-C 6H 3N=CMe) 2C 5H 6N). The product, [2-(N)(η2-C2H4)] was structurally and spectroscopi-cally characterized, and its electronic structure examined by density functional theory (DFT). Moreover, the stepwise addition of H-atoms from [Rh–H] to [1-(N)(η2-C2H4)] was calculated to be thermodynamically viable by DFT.

Authors:
ORCiD logo [1]; ORCiD logo [1]
  1. Princeton Univ., Princeton, NJ (United States)
Publication Date:
Research Org.:
Princeton Univ., NJ (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1506421
Grant/Contract Number:  
SC0006498
Resource Type:
Accepted Manuscript
Journal Name:
Organometallics
Additional Journal Information:
Journal Name: Organometallics; Journal ID: ISSN 0276-7333
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Bezdek, Máté J., and Chirik, Paul J.. Pyridine(diimine) Chelate Hydrogenation in a Molybdenum Nitrido Ethylene Complex. United States: N. p., 2019. Web. doi:10.1021/acs.organomet.9b00095.
Bezdek, Máté J., & Chirik, Paul J.. Pyridine(diimine) Chelate Hydrogenation in a Molybdenum Nitrido Ethylene Complex. United States. doi:10.1021/acs.organomet.9b00095.
Bezdek, Máté J., and Chirik, Paul J.. Fri . "Pyridine(diimine) Chelate Hydrogenation in a Molybdenum Nitrido Ethylene Complex". United States. doi:10.1021/acs.organomet.9b00095.
@article{osti_1506421,
title = {Pyridine(diimine) Chelate Hydrogenation in a Molybdenum Nitrido Ethylene Complex},
author = {Bezdek, Máté J. and Chirik, Paul J.},
abstractNote = {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-C6H3N=CMe)2C5H3N) in the presence of the rhodium hydride catalyst (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-C6H3N=CMe)2C5H6N). The product, [2-(N)(η2-C2H4)] was structurally and spectroscopi-cally characterized, and its electronic structure examined by density functional theory (DFT). Moreover, the stepwise addition of H-atoms from [Rh–H] to [1-(N)(η2-C2H4)] was calculated to be thermodynamically viable by DFT.},
doi = {10.1021/acs.organomet.9b00095},
journal = {Organometallics},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {4}
}

Journal Article:
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This content will become publicly available on April 5, 2020
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