Relaxation of the H2O Overtone Bending Vibration in the Water Dimer···Hydroxyl Radical Complex.
J Phys Chem A
; 122(25): 5510-5517, 2018 Jun 28.
Article
em En
| MEDLINE
| ID: mdl-29846069
ABSTRACT
The relaxation mechanism of the overtone bending vibration in the collision of the water dimer with the vibrationally excited hydroxyl radical is studied by use of trajectory procedures. The transfer of the OH(v = 1) energy to the dimer stretches is followed by a near-resonant first overtone transition to the donor monomer. Nearly a quarter of the trajectories undergo a complex-mode collision, forming the (H2O)2···OH complex bound by a hydrogen bond with the lifetime ranging from a subpicosecond scale to >100 ps. The overtone vibration relaxes to the ground state, transferring approximately half of its energy to the dimer hydrogen-bonding (H2O···H2O) and the remaining half to the complex hydrogen-bonding (H2O)2···OH, via near-resonant pathways, each consisting of a series of intermolecular low-frequency vibrations.
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01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
J Phys Chem A
Ano de publicação:
2018
Tipo de documento:
Article