Intermolecular vibrations of naphthalene trimer by ionization-detected stimulated Raman spectroscopy
Intermolecular vibrations of naphthalene trimer by ionization-detected stimulated Raman spectroscopy
复制标题
通过电离检测受激拉曼光谱研究萘三聚体的分子间振动
DOI：
10.1063/1.479067
复制
发表时间：
1999
影响因子：
4.4
通讯作者：
P. Felker
中科院分区：
文献类型：
--
作者：
Wousik Kim;M. Schaeffer;Soohyun Lee;James S. Chung;P. Felker
本文报道了四种萘三聚体同位素的分子间振动跃迁的非线性拉曼光谱。通过质量选择电离损耗受激拉曼光谱法在0.03 cm−1处测量的光谱显示出形状明显的摆动带轮廓，与模拟的摆动带轮廓相比，几乎所有观察到的带都有现成的归属。结果清楚地表明，三聚体具有C3h（或非常接近C3h）对称性，萘的排列使它们的长轴彼此平行。通过假设谐波分子间模式，并采取分子间势能面是一个成对添加剂的萘三聚体的分子间光谱的计算结果的实验结果的比较，揭示了显着的定性协议。这种一致性强烈地暗示了一个相对刚性的簇，在零点能级的100 cm−1范围内没有大幅度的分子间运动。最后，结果喜…
We present nonlinear Raman spectra of intermolecular vibrational transitions in four naphthalene trimer isotopomers. The spectra, measured at 0.03 cm−1 by mass-selective ionization-loss stimulated Raman spectroscopy, reveal distinctly shaped pendular band contours, which, upon comparison to simulated pendular contours, lead to ready assignments for almost all of the observed bands. The results show clearly that the trimer has C3h (or very nearly C3h) symmetry with the naphthalenes arranged such that their long axes are parallel to one another. Comparison of the experimental results to the results of calculations of naphthalene-trimer intermolecular spectra performed by assuming harmonic intermolecular modes and by taking the intermolecular potential energy surface to be a pair-wise additive one reveals significant qualitative agreement. This agreement strongly suggests a relatively rigid cluster with no large amplitude intermolecular motions within 100 cm−1 of the zero-point level. Finally, the results hi...