Toward organic photohydrides

Yang, Xin; Walpita, Janitha; Zhou, Dapeng; Luk, Hoi Ling; Vyas, Shubham; Khnayzer, Rony S.

Toward organic photohydrides

Yang, Xin; Walpita, Janitha; Zhou, Dapeng; Luk, Hoi Ling; Vyas, Shubham; Khnayzer, Rony S.

URI: http://hdl.handle.net/10725/6500

URL: http://pubs.acs.org/doi/abs/10.1021/jp401770e

DOI: http://dx.doi.org/10.1021/jp401770e

Date: 2017-11-03

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Abstract:

The excited-state hydride release from 10-methyl-9-phenyl-9,10-dihydroacridine (PhAcrH) was investigated using steady-state and time-resolved UV/vis absorption spectroscopy. Upon excitation, PhAcrH is oxidized to the corresponding iminium ion (PhAcr+), while the solvent (acetonitrile/water mixture) is reduced (52% of PhAcr+ and 2.5% of hydrogen is formed). The hydride release occurs from the triplet excited state by a stepwise electron/hydrogen-atom transfer mechanism. To facilitate the search for improved organic photohydrides that exhibit a concerted mechanism, a computational methodology is presented that evaluates the thermodynamic parameters for the hydride ion, hydrogen atom, and electron release from organic hydrides.

Citation:

Yang, X., Walpita, J., Zhou, D., Luk, H. L., Vyas, S., Khnayzer, R. S., ... & Krylov, A. I. (2013). Toward Organic Photohydrides: Excited-State Behavior of 10-Methyl-9-phenyl-9, 10-dihydroacridine. The Journal of Physical Chemistry B, 117(49), 15290-15296.