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In Situ Structural Determination of a Homogeneous Ruthenium Racemization Catalyst and Its Activated Intermediates Using X-Ray Absorption Spectroscopy

Gustafson, Karl P. J. and Guomundsson, Arnar and Bajnóczi, Éva and Yuan, Ning and Zou, Xiaodong and Persson, Ingmar and Backvall, Jan-E. (2020). In Situ Structural Determination of a Homogeneous Ruthenium Racemization Catalyst and Its Activated Intermediates Using X-Ray Absorption Spectroscopy. Chemistry - A European Journal. 26 , 3411-3419
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Abstract

The activation process of a known Ru-catalyst, dicarbonyl(pentaphenylcyclopentadienyl)ruthenium chloride, has been studied in detail using time resolved in situ X-ray absorption spectroscopy. The data provide bond lengths of the species involved in the process as well as information about bond formation and bond breaking. On addition of potassium tert-butoxide, the catalyst is activated and an alkoxide complex is formed. The catalyst activation proceeds via a key acyl intermediate, which gives rise to a complete structural change in the coordination environment around the Ru atom. The rate of activation for the different catalysts was found to be highly dependent on the electronic properties of the cyclopentadienyl ligand. During catalytic racemization of 1-phenylethanol a fast-dynamic equilibrium was observed.

Authors/Creators:Gustafson, Karl P. J. and Guomundsson, Arnar and Bajnóczi, Éva and Yuan, Ning and Zou, Xiaodong and Persson, Ingmar and Backvall, Jan-E.
Title:In Situ Structural Determination of a Homogeneous Ruthenium Racemization Catalyst and Its Activated Intermediates Using X-Ray Absorption Spectroscopy
Year of publishing :2020
Volume:26
Page range:3411-3419
Number of Pages:10
Publisher:WILEY-V C H VERLAG GMBH
ISSN:0947-6539
Language:English
Publication Type:Journal article
Article category:Scientific peer reviewed
Version:Published version
Copyright:Creative Commons: Attribution-Noncommercial 4.0
Full Text Status:Public
Subjects:(A) Swedish standard research categories 2011 > 1 Natural sciences > 104 Chemical Sciences > Analytical Chemistry
Keywords:homogeneous catalysis, in situ EXAFS spectroscopy, racemization, ruthenium
URN:NBN:urn:nbn:se:slu:epsilon-p-104828
Permanent URL:
http://urn.kb.se/resolve?urn=urn:nbn:se:slu:epsilon-p-104828
Additional ID:
Type of IDID
DOI10.1002/chem.201905479
Web of Science (WoS)000515398900001
ID Code:17456
Faculty:NJ - Fakulteten för naturresurser och jordbruksvetenskap
Department:(NL, NJ) > Department of Molecular Sciences
Deposited By: SLUpub Connector
Deposited On:14 Sep 2020 11:17
Metadata Last Modified:14 Sep 2020 11:17

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