Relaxation dynamics following transition of solvated electrons
作者： R. B. Barnett , Uzi Landman , Abraham Nitzan
DOI: 10.1063/1.456695
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摘要: Relaxation dynamics following an electronic transition of excess solvated electron in clusters and bulk water is studied using adiabatic simulation method. In this method the solvent evolves classically constrained to a specified state. The coupling between evaluated via quantum expectation value electron–water molecule interaction potential. relaxation excitation (or deexcitation) characterized by two time scales: (i) very fast (∼20–30 fs) one associated with molecular rotations first solvation shell about electron, (ii) slower stage (∼200 fs), which order longitudinal dielectric time. exhibits isotope effect. spectroscopical consequences are discussed.
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