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Synthesis and functionalization reactivity of Fe-thiocarbonyl and thiocarbyne complexes

Deegan, Meaghan M. and Peters, Jonas C. (2021) Synthesis and functionalization reactivity of Fe-thiocarbonyl and thiocarbyne complexes. Polyhedron, 209 . Art. No. 115461. ISSN 0277-5387. doi:10.1016/j.poly.2021.115461.

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The remarkable catalytic transformation of CO to liquid hydrocarbons by Fe and Co catalysts in the industrial Fischer-Tropsch process motivates interest in developing well-defined systems to model aspects of this chemistry. One of the most interesting potential intermediates in this chemistry is a terminally-bound, first row metal carbide, yet a molecular model of this species remains elusive. With this in mind, we targeted the synthesis of highly-activated Fe-thiocarbonyl complexes, as prospective precursors to S-functionalization, C–S bond cleavage, and carbide generation. Herein, we describe the synthesis of three Fe–CS complexes that can be alkylated to generate a series of terminal Fe-carbynes that could be characterized across three oxidation states. Strategies to access C–S bond scission from these species are discussed, including limitations that, thus far, have precluded the generation of a terminal Fe-carbide for this system.

Item Type:Article
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URLURL TypeDescription
Deegan, Meaghan M.0000-0002-7633-2074
Peters, Jonas C.0000-0002-6610-4414
Alternate Title:fvSynthesis and Functionalization Reactivity of Fe-Thiocarbonyl and Thiocarbyne Complexes
Additional Information:© 2021 Published by Elsevier. Received 14 June 2021, Revised 22 August 2021, Accepted 31 August 2021, Available online 4 September 2021. We acknowledge the NIH (GM-075757) for financial support, as well as the X-Ray Crystallography Facility in the Beckman Institute at Caltech, which is supported by the Dow Next Generation Instrumentation Grant/Educator Funds. We additionally thank Mike Takase, Larry Henling, and Nina Gu for experimental assistance. CRediT authorship contribution statement: Meaghan M. Deegan: Conceptualization, Data curation, Formal analysis. Jonas C. Peters: Conceptualization, Formal analysis. The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.
Funding AgencyGrant Number
Dow Next Generation Educator FundUNSPECIFIED
Subject Keywords:Carbynes; Carbides; Thiocarbonyls; Fischer-Tropsch; CO cleavage
Record Number:CaltechAUTHORS:20210908-171122974
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Official Citation:Meaghan M. Deegan, Jonas C. Peters, Synthesis and functionalization reactivity of Fe-thiocarbonyl and thiocarbyne complexes, Polyhedron, Volume 209, 2021, 115461, ISSN 0277-5387,
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:110763
Deposited By: George Porter
Deposited On:08 Sep 2021 22:29
Last Modified:04 Oct 2021 22:10

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