Resonance Raman spectra of some radiolytically prepared halogen derivatives of para‐benzosemiquinone radical anion
Resonance Raman spectra of some radiolytically prepared halogen derivatives of para‐benzosemiquinone radical anion
复制标题
一些放射分解制备的对苯半醌自由基阴离子卤素衍生物的共振拉曼光谱
DOI：
10.1063/1.443310
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发表时间：
1982
影响因子：
4.4
通讯作者：
R. H. Schuler
中科院分区：
文献类型：
--
作者：
G. Tripathi;R. H. Schuler
本文报道了用辐射和化学方法制备的对苯醌自由基阴离子卤代衍生物（氯、溴、2.5二氯、四氯和四溴）的共振拉曼光谱。激发在430-460 nm处的中等强度吸收带中。所有的拉曼光谱都显示出对应于1590-1620 cm-1的振动频率的强共振增强和偏振线，其被分配给威尔逊苯基模式8a（CC伸缩）。一些较弱的线也观察到和他们的分配进行了讨论。根据共振拉曼带强度，共振中的电子跃迁被识别为2B 3 g-2B 1 u（在D2 h点群中）。这支持了Harada基于ASMO CI计算的分配，该计算最近一直存在争议。
The resonance Raman spectra have been obtained on radiolytically and chemically prepared halogen derivatives (chloro‐, bromo‐, 2.5 dichloro‐, tetra chloro‐, and tetra bromo‐) of p‐benzosemiquinone radical anion. Excitation is in the moderately intense absorption band at 430–460 nm. All Raman spectra show a strongly resonance enhanced and polarized line corresponding to a vibrational frequency of 1590–1620 cm−1 which is assigned to the Wilson phenyl mode 8a (CC stretch). A number of weaker lines are also observed and their assignment discussed. The electronic transitions in resonance are identified as 2B3g–2B1u (in D2h point group) in view of the resonance Raman band intensities. This supports the assignment by Harada based on ASMO CI calculations which has recently been in dispute.