ZERO-KINETIC-ENERGY PHOTOELECTRON-SPECTROSCOPY OF THE HYDROGEN-BONDED PHENOL-WATER COMPLEX

被引:107
作者
DOPFER, O
REISER, G
MULLERDETHLEFS, K
SCHLAG, EW
COLSON, SD
机构
[1] TECH UNIV MUNICH, INST PHYS & THEORET CHEM, D-85747 GARCHING, GERMANY
[2] PACIFIC NW LAB, MOLEC SCI RES CTR, RICHLAND, WA 99352 USA
关键词
D O I
10.1063/1.467752
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Two-photon, two-color (1+1') zero-kinetic-energy (ZEKE) photoelectron spectra are presented for the 1:1 phenol-water complex, a prototype system for hydrogen bonding between an aromatic molecule and a simple solvent. ZEKE spectra via different (intermolecular) vibrational intermediate S, levels of the fully protonated complex (C6H5OD-D2O, h(3)) as well as the ZEKE spectrum via the vibrationless S-1 state of the threefold deuterated complex (C6H5OD-D2O, d(3)) have been recorded. The spectra are rich in structure, which is mainly attributable to intermolecular vibrations of the ionic complex. Progressions of the intermolecular stretch vibration (240 cm(-1)) in combination with different intermolecular and intramolecular vibrational levels are the dominant feature of all ZEKE spectra obtained and indicate a large change in the complex geometry along the hydrogen-bond coordinate on ionization. Comparison between the spectrum of the d(3) complex and the spectra via different intermediate intermolecular levels of the h(3) complex has allowed a more detailed analysis of the intermolecular features compared to previously reported results. Finally, the vibrational assignments obtained are compared with ab initio results for the phenol-water cation reported in the following paper in this issue.
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页码:974 / 989
页数:16
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