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首页> 外文期刊>The Journal of Chemical Physics >THE T-1(N-PI(ASTERISK))[-S-0 LASER INDUCED PHOSPHORESCENCE EXCITATION SPECTRUM OF ACETALDEHYDE IN A SUPERSONIC FREE JET - TORSION AND WAGGING POTENTIALS IN THE LOWEST TRIPLET STATE
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THE T-1(N-PI(ASTERISK))[-S-0 LASER INDUCED PHOSPHORESCENCE EXCITATION SPECTRUM OF ACETALDEHYDE IN A SUPERSONIC FREE JET - TORSION AND WAGGING POTENTIALS IN THE LOWEST TRIPLET STATE

机译：T-1（N-PI（ASTERISK））[-S-0激光在最低三极管状态下的超音速自由旋转-扭曲和摇摆电位中诱发的乙醛的磷激发光谱

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The laser induced T-1(n pi*)<--S-0 phosphorescence excitation spectrum of jet-cooled acetaldehyde has been observed for the first time with a rotating slit nozzle excitation system. The vibronic origins were fitted to a set of levels that were obtained from a Hamiltonian that employed flexible torsion-wagging large amplitude coordinates. The potential surface extracted from the fitting procedure yielded barriers to torsion and inversion of 609.68 and 869.02 cm(-1), respectively. Minima in the potential-hypersurface at theta=61.7 degrees and alpha=42.2 degrees defined the equilibrium positions for the torsion and wagging coordinates. A comparison to the corresponding S-1-state parameters showed that the torsion barrier (in cm(-1)) does not greatly change, S-1/T-1 = 710.8/609.7, whereas the barrier height for the wagging-inversion barrier increases dramatically, 574.4/869.0. (C) 1996 American Institute of Physics. [References: 35]
机译：首次用旋转狭缝喷嘴激发系统观察到了激光诱导的喷射冷却乙醛的T-1（n pi *）<-S-0磷光激发光谱。振动的起因拟合到一组水平，这些水平是从采用挠性扭摆大振幅坐标的哈密顿量获得的。从拟合过程中提取的潜在表面分别产生了609.68和869.02 cm（-1）的扭转和反转障碍。在θ= 61.7度和α= 42.2度的势能曲面中的最小值定义了扭转坐标和摆动坐标的平衡位置。与相应的S-1状态参数的比较表明，扭转势垒（以cm（-1）为单位）没有太大变化，S-1 / T-1 = 710.8 / 609.7，而摆动反演的势垒高度障碍急剧增加，为574.4 / 869.0。 （C）1996年美国物理研究所。 [参考：35]

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