Proton tunneling dynamics and an isotopically dependent equilibrium geometry in the lowest excited π–π* singlet state of tropolone
Proton tunneling dynamics and an isotopically dependent equilibrium geometry in the lowest excited π–π* singlet state of tropolone
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托酚酮最低激发 π–π* 单线态下的质子隧道动力学和同位素相关的平衡几何结构
DOI：
10.1063/1.440334
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发表时间：
1980
期刊：
影响因子：
--
通讯作者：
L. Brus
中科院分区：
文献类型：
--
作者：
R. Rossetti;L. Brus
在近4K的温度下，观察到了环酚酮在氖基质中的荧光和荧光激发光谱。荧光光谱的振动分析表明，在激发态的具体几何变化取决于同位素取代的酚质子。发现分子内隧穿势垒在基态电子态中显著更高。分析了Alves和Hollas的气相数据，表明隧穿约化质量非常接近自由质子（氘）的质量。
Fluorescence and fluorescence excitation spectra have been observed for tropolone isolated in neon matrices near 4 K. The fluorescence spectra are vibrationally analyzed showing that specific geometrical changes in the excited state are dependent upon isotopic substitution of the phenolic proton. The intramolecular tunneling barrier is found to be substantially higher in the ground electronic state. The gas phase data of Alves and Hollas are analyzed showing that the tunneling reduced mass is very close to that of a free proton (deuteron).