On the role of alkylcobalamins in the vitamin B12-catalyzed reductive dehalogenation of perchloroethylene and trichloroethylene

Derek A. Pratt; Wilfred A. van der Donk

doi:10.1039/B513624E

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On the role of alkylcobalamins in the vitamin B₁₂-catalyzed reductive dehalogenation of perchloroethylene and trichloroethylene†

Derek A. Pratt*^a and Wilfred A. van der Donk*^b

Author affiliations

* Corresponding authors

^a Department of Chemistry, Queen's University, 90 Bader Crescent, Kingston, Ontario, Canada
E-mail: pratt@chem.queensu.ca
Fax: +1 613 533 6669
Tel: +1 613 533 3287

^b Department of Chemistry, University of Illinois at Urbana-Champaign, 600 South Mathews Ave., Urbana, IL 61801, USA
E-mail: vddonk@uiuc.edu
Fax: +1 217 244 8533
Tel: +1 217 244 5360

Abstract

Theoretical studies are presented on the structures and reactivity of chlorinated ethylcobalamins, potential intermediates in the vitamin B₁₂-catalyzed reductive dehalogenation of the environmental pollutants perchloroethylene and trichloroethylene; the results suggest an alternative mechanism of catalysis.

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Supplementary files

All structures calculated in this work available in Cartesian coordinates as well as electronic energies and relevant thermochemical corrections. PDF (148K)

Article information

DOI: https://doi.org/10.1039/B513624E
Article type: Communication
Submitted: 24 Sep 2005
Accepted: 10 Nov 2005
First published: 20 Dec 2005

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Chem. Commun., 2006, 558-560

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On the role of alkylcobalamins in the vitamin B₁₂-catalyzed reductive dehalogenation of perchloroethylene and trichloroethylene

D. A. Pratt and W. A. van der Donk, Chem. Commun., 2006, 558 DOI: 10.1039/B513624E

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