Relaxation dynamics following transition of solvated electrons

Journal Article · Sat Apr 15 04:00:00 EDT 1989 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.456695· OSTI ID:6280235

Barnett, R B; Landman, U; Nitzan, A

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

• Research Organization: School of Physics, Georgia Institute of Technology, Atlanta, Georgia 30332
• OSTI ID: 6280235
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 90:8; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEAR CHEMISTRY
400600* -- Radiation Chemistry
ABSORPTION SPECTRA
CHEMISTRY
DYNAMICS
ELECTRONS
ELEMENTARY PARTICLES
ENERGY-LEVEL TRANSITIONS
FERMIONS
HEAVY WATER
HYDROGEN COMPOUNDS
ISOTOPE EFFECTS
LEPTONS
MECHANICS
OXYGEN COMPOUNDS
RADIATION CHEMISTRY
RELAXATION
SOLVATED ELECTRONS
SPECTRA
SPECTRAL SHIFT
WATER