High resolution UV spectroscopy of Phenol and the hydrogen bonded phenol/water cluster
- Univ. of Nijmegen (Netherlands)
- Heinrich-Heine Universitaet Duesseldorf (Germany)
Phenol and the hydrogen bonded Phenol(H{sub 2}O){sub 1} cluster have been studied by high resolution fluorescence excitation spectroscopy. The S{sub 1}{l_arrow}S{sub 0} 0{sub 0}{sup 0} vibronic transitions of the monomer and cluster were observed. All lines in the monomer spectrum are split by 56 {+-} 4 MHz due to the internal rotation of the OH group around the C-O bond. The rotational constants for the monomer were found to be A{double_prime}=5650.452 MHz, B{double_prime}=2619.190 MHz, C{double_prime}=1789.843 MHz and A{prime}=5313.6 MHz, B{prime}= 2620.5 MHz; C{prime}=1756.7 MHz, simulated with a rotational temperature of 5K. The region of the 0,0 transition of Phenol(H{sub 2}O){sub 1} shows two distinct bands which are 0.85 cm{sup -1} apart. The analysis of both bands showed, that they arise from the vibrational/torsional motion, which interchanges the two equivalent H-atoms in the H{sub 2}O moiety of the cluster. This assignment was further confirmed by spin statistical considerations, which led to the inevitable conclusion, that the cluster has a symmetry plane bisecting the water moiety. A barrier of 140 cm{sup -1} could be estimated for the electronic ground state and 120 cm{sup -1}, for the electronically excited state. The analysis of the rotational constants of the cluster yielded a O-O distance of the hydrogen bond of 2.865 {Angstrom} in the electronic ground state and 2.824 {Angstrom} in the electronically excited state.
- OSTI ID:
- 456873
- Report Number(s):
- CONF-9506113--
- Country of Publication:
- United States
- Language:
- English
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