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Anion resonances and above-threshold dynamics of coenzyme Q0.

Bull, J. N. and West, C. W. and Verlet, J. R. R. (2015) 'Anion resonances and above-threshold dynamics of coenzyme Q0.', Physical chemistry chemical physics., 17 (24). pp. 16125-16135.

Abstract

Temporary radical anions (resonances) of isolated co enzyme Q0 (CQ0) and their associated above-threshold dynamics have been studied using frequency-, angle-, and time-resolved photoelectron imaging (FAT-PI). Experimental energetics and dynamics are supported with ab initio calculations. All results support that CQ0 exhibits similar resonances and energetics compared with the smaller para-benzoquinone subunit, which is commonly considered as a prototype electrophore for larger biological para-quinone species. However, the above-threshold dynamics in CQ0 relative to para-benzoquinone show significantly enhanced prompt detachment compared with internal conversion, particularly around the photoexcitation energy of 3.10 eV. The change in dynamics can be attributed to a combination of an increase in the shape character of the optically-accessible resonance at this energy, a decrease in the autodetachment lifetime due to the higher density of states in the neutral, and a decrease in the probability that the wavepacket formed in the Franck–Condon window can access the local conical intersection in CQ0 over the timescale of autodetachment. Overall, this study serves as a clear example in understanding the trends in spectroscopy and dynamics in relating a simple prototypical para-quinone electrophore to a more complex biochemical species.

Item Type:Article
Full text:(AM) Accepted Manuscript
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Status:Peer-reviewed
Publisher Web site:http://dx.doi.org/10.1039/C5CP02145F
Date accepted:19 May 2015
Date deposited:15 June 2015
Date of first online publication:June 2015
Date first made open access:19 May 2016

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