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Arene C–H activation using Rh(I) catalysts supported by bidentate nitrogen chelates

Webster-Gardiner, Michael S. and Fu, Ross and Fortman, George C. and Nielsen, Robert J. and Gunnoe, T. Brent and Goddard, William A., III (2015) Arene C–H activation using Rh(I) catalysts supported by bidentate nitrogen chelates. Catalysis Science and Technology, 5 (1). pp. 96-100. ISSN 2044-4753. https://resolver.caltech.edu/CaltechAUTHORS:20150220-102307992

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Abstract

The Rh(I) complexes [(^(Fl)DAB)Rh(coe)(TFA)] (1) and [(BOZO)Rh(coe)(TFA)] (2) [^(Fl)DAB = N,N-bis-(pentafluorophenyl)-2,3-dimethyl-1,4-diaza-1,3-butadiene, coe = cyclooctene, TFA = trifluoroacetate, BOZO = bis(2-oxazolin-2-yl)] are efficient catalyst precursors for H/D exchange between arenes and DTFA. Catalyst precursor 1 exhibits a TOF of 0.06 s^(−1) at 150 °C for benzene H/D exchange. DFT calculations revealed that H/D exchange through reversible oxidative addition or internal electrophilic substitution of benzene is a viable pathway.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1039/c4cy00972j DOIArticle
http://pubs.rsc.org/en/Content/ArticleLanding/2015/CY/C4CY00972JPublisherArticle
ORCID:
AuthorORCID
Nielsen, Robert J.0000-0002-7962-0186
Gunnoe, T. Brent0000-0001-5714-3887
Goddard, William A., III0000-0003-0097-5716
Additional Information:© 2015 The Royal Society of Chemistry. Received 25th July 2014, Accepted 13th October 2014, First published online 20 Oct 2014. The authors acknowledge the Center for Catalytic Hydrocarbon Functionalization, an Energy Frontier Research Center funded by the US Department of Energy, Office of Basic Energy Sciences (DE-SC0001298). M.S.W-G. acknowledges support from AES for a graduate student fellowship.
Funders:
Funding AgencyGrant Number
Department of Energy (DOE)DE-SC0001298
AES Graduate Student FellowshipUNSPECIFIED
Issue or Number:1
Record Number:CaltechAUTHORS:20150220-102307992
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20150220-102307992
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:55048
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:20 Feb 2015 20:59
Last Modified:09 Mar 2020 13:18

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