title: Photostability of Hydroxocobalamin: Ultrafast Excited State Dynamics and Computational Studies.
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.
authors.affiliation: Department of Chemistry, University of Michigan , 930 North University Avenue, Ann Arbor, Michigan 48109-1055, United States.
authors.forename: Theodore E
authors.initials: TE
authors.lastname: Wiley
authors.affiliation: Department of Chemistry, University of Michigan , 930 North University Avenue, Ann Arbor, Michigan 48109-1055, United States.
authors.forename: William R
authors.initials: WR
authors.lastname: Miller
authors.affiliation: Department of Chemistry, University of Michigan , 930 North University Avenue, Ann Arbor, Michigan 48109-1055, United States.
authors.forename: Nicholas A
authors.initials: NA
authors.lastname: Miller
authors.affiliation: Department of Chemistry, University of Michigan , 930 North University Avenue, Ann Arbor, Michigan 48109-1055, United States.
authors.forename: Roseanne J
authors.initials: RJ
authors.lastname: Sension
authors.affiliation: Department of Theoretical Chemistry, Institute of Chemistry, University of Silesia , Szkolna 9, 40-006 Katowice, Poland.
authors.forename: Piotr
authors.initials: P
authors.lastname: Lodowski
authors.affiliation: Department of Theoretical Chemistry, Institute of Chemistry, University of Silesia , Szkolna 9, 40-006 Katowice, Poland.
authors.forename: Maria
authors.initials: M
authors.lastname: Jaworska
authors.affiliation: Department of Chemistry, University of Louisville , 2320 South Brook Street, Louisville, Kentucky 40292, United States.|Visiting Professor at the Department of Food Sciences, Medical University of Gdansk , Al. Gen. J. Hallera 107, 80-416 Gdansk, Poland.
authors.forename: Pawel M
authors.initials: PM
authors.lastname: Kozlowski
keywords: Cobalamin; Electronic Structure; Excited States; Photochemistry; Vitamin B12; femtosecond spectroscopy