标题: 求助：理论模拟的吸收发射谱中，简正模指数和振动量子数应该怎么归属？ [打印本页] 作者Author: phosphorescence 时间: 2023-4-21 09:40 标题: 求助：理论模拟的吸收发射谱中，简正模指数和振动量子数应该怎么归属？ 想请问各位老师，图7中所选峰中简正模指数和振动量子数应该怎么去归属。以及，想确认一下这个图是否就是sob老师在223博文中提到的“振动分辨的电子光谱”呢？
原文对图7的描述“ Next, we calculated the absorption and emission spectra in different solvents at 0 K by using the displaced-distorted harmonic model,38 which is presented in Figure 7 along with the assignments of some typical peaks. It is observed that (i) the 0-0 transitions are red-shifted with solvent polarity, (ii) the maximum peak does not appear at the 0-0 transition position because the largest Huang-Rhys factor is larger than 1.0 in all of the solvents (Table S3 of SI), and (iii) the spectra are quite smooth even at 0 K because the contributions of low-frequency modes and their combinations dominate vibrational relaxation processes. ”【文章来源：10.1021/jp5099409】