Vibrational substructure in the OH stretching band of water
β Scribed by Zhaohui Wang; Andrei Pakoulev; Yoonsoo Pang; Dana D. Dlott
- Publisher
- Elsevier Science
- Year
- 2003
- Tongue
- English
- Weight
- 221 KB
- Volume
- 378
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
Spectral diffusion in the OH stretching (m OH ) band of water is studied by ultrafast IR-Raman spectroscopy. The m OH transition consists of two overlapping inhomogeneously broadened subbands, a broader ($500 cm Γ1 ) redshifted band and a smaller, narrower ($200 cm Γ1 ) blueshifted band. The blueshifted band, which shows less spectral diffusion, has a longer lifetime (0.75 vs 0.55 ps) and a smaller vibrational frequency blueshift from the ground state (65 vs 90 cm Γ1 ), is tentatively assigned to water molecules where one hydrogen atom has a broken hydrogen bond.
π SIMILAR VOLUMES
A classical molecular dynamics (CMD) study has been carried out to investigate the OH stretching spectrum of liquid water. The potential used is the simple point charge model modified to include anharmonic vibrational potentials. A series of CMD runs were made for a system of 100 water molecules. Sp
The population lifetimes of the OH stretching mode of a water molecule hydrogen-bonded to the Bronsted acidic hydroxyl groups in a mordenite-type zeolite have been measured at various temperatures using an infrared picosecond pump-probe technique. An extraordinary temperature dependence has been obs