Vibrational spectroscopy of size-assigned p-cresol/H2O-clusters in the S0 and S1 state

✍ Scribed by M. Pohl; M. Schmitt; K. Kleinermanns

• Publisher: Elsevier Science
• Year: 1991
• Tongue: English
• Weight: 694 KB
• Volume: 177
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(91)85025-r

✦ Synopsis

Vibrational spectra of supersonically cooled complexes ofp-cresol with Hz0 and CH,OH were analysed by mass-resolved tw* photon ionisation, dispersed fluorescence and stimulated emission, detected by two-colour ionisation dip. In p-cresol.(H20)1 progressions of the intermolecular cluster stretch vibration and its combination bands with intramolecular cluster vibrations were observed with similar frequencies in the S, and S, state. In pcresol~ (H,O), and pcresol. (CHsOH) ,, further intense intermolec- ular bands arise, namely the hydrogen-bridge bending and torsion vibration. Thii can be attributed to the lower symmetry of these clusters. Ab initio quantum chemical calculations show pcresol-(H,O), to have a higher H-bond stretch frequency than pcresol ( H20) , because its (unsymmetric) cyclic structure is more rigid.