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Polarized Ultrafast Transient Spectroscopy of the Hydrated Electron: Quantum Non-Adiabatic Molecular Dynamics Simulation

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Abstract

The transient spectroscopy of the aqueous solvated electron has been the subject of intense experimental1-3 and theoretical4-8 interest recently. Hydrated electrons play an important role as intermediaries in the radiation chemistry of water, as well as in solution photochemistry and electron transfer reactions. Furthermore, the coupling of solvent fluctuations to the electronic absorption spectrum makes the hydrated electron an outstanding probe of electronic solvation dynamics in the aqueous environment. The optical absorption spectrum of the hydrated electron is comprised of three s->p like transitions which are highly broadened and split by coupling to solvent fluctuations.6

© 1994 Optical Society of America

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