Fluorescence and Ultraviolet Absorption Spectra,and the Structure and Vibrations of 1,2,3,4-Tetrahydronaphthalene in Its S1(pi,pi*)State

Juan Yang; Martin Wagner; Jaan Laane

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Fluorescence and Ultraviolet Absorption Spectra,and the Structure and Vibrations of 1,2,3,4-Tetrahydronaphthalene in Its S1(pi,pi*)State

机译：处于S1（pi，pi *）状态的荧光和紫外吸收光谱以及1,2,3,4-四氢萘的结构和振动

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The ultraviolet absorption spectra in the static vapor phase and the laser induced fluorescence spectra(both fluorescence excitation and single vibronic level fluorescence spectra)of jet-cooled 1,2,3,4-tetrahydronaph-thalene have been used along with theoretical calculations to assign many of the vibronic levels in the S1(pi,pi*)state.These have been compared to the corresponding vibrational levels for the S0 ground state.Analysis of the upper states of the ring-twisting vibration v31 and three other low-frequency modes has allowed us to construct an energy map of the lowest vibrational quantum states for both S0 and S1.The molecule is highly twisted in both electronic states with high barriers to planarity,which are calculated to be 4811 cm~(-1)for S0 and 5100 cm~(-1)for S1.However,the experimental data show that the barrier should be lower in the S1 state.

机译：利用静态冷却的紫外吸收光谱和喷射冷却的1,2,3,4-四氢萘-thalene的激光诱导荧光光谱（荧光激发和单电子能级荧光光谱）以及理论计算来确定处于S1（pi，pi *）状态的许多振动水平，已将这些振动水平与S0基态的相应振动水平进行了比较。环扭振动v31和其他三种低频模式的较高状态分析已经使我们能够构造出S0和S1的最低振动量子态的能量图。分子在两个电子态中都高度扭曲，具有高的平面性势垒，对于S0和S1，分子计算为4811 cm〜（-1）。 S1为5100 cm〜（-1）。但是，实验数据表明，在S1状态下势垒应该更低。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2007年第34期|共10页
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Juan Yang; Martin Wagner; Jaan Laane;
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1. Fluorescence and Ultraviolet Absorption Spectra,and the Structure and Vibrations of 1,2,3,4-Tetrahydronaphthalene in Its S1(pi,pi*)State [J] . Juan Yang, Martin Wagner, Jaan Laane The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2007,第34期

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Fluorescence and Ultraviolet Absorption Spectra,and the Structure and Vibrations of 1,2,3,4-Tetrahydronaphthalene in Its S1(pi,pi*)State

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