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. 2016 Jan 7;7(1):143-7.
doi: 10.1021/acs.jpclett.5b02333. Epub 2015 Dec 23.

Photostability of Hydroxocobalamin: Ultrafast Excited State Dynamics and Computational Studies

Theodore E Wiley  1 , William R Miller  1 , Nicholas A Miller  1 , Roseanne J Sension  1 , Piotr Lodowski  2 , Maria Jaworska  2 , Pawel M Kozlowski  3   4
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Photostability of Hydroxocobalamin: Ultrafast Excited State Dynamics and Computational Studies

Theodore E Wiley et al. J Phys Chem Lett. .

Abstract

Hydroxocobalamin is a potential biocompatible source of photogenerated hydroxyl radicals localized in time and space. The photogeneration of hydroxyl radicals is studied using time-resolved spectroscopy and theoretical simulations. Radicals are only generated for wavelengths <350 nm through a mechanism that involves competition between prompt dissociation and internal conversion. Characterization of the lowest-lying singlet potential energy surface provides insight into the photochemistry of hydroxocobalamin and other cobalamin compounds.

Keywords: Cobalamin; Electronic Structure; Excited States; Photochemistry; Vitamin B12; femtosecond spectroscopy.

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