Photoelectron spectra of and ab initio calculations on chlorobenzenes. 2. Trichlorobenzenes, tetrachlorobenzenes, and pentachlorobenzene
Photoelectron spectra of and ab initio calculations on chlorobenzenes. 2. Trichlorobenzenes, tetrachlorobenzenes, and pentachlorobenzene
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DOI：
10.1021/j150611a008
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发表时间：
1981-05
期刊：
影响因子：
--
通讯作者：
B. Ruscic;L. Klasinc;A. Wolf;J. V. Knop
中科院分区：
文献类型：
--
作者：
B. Ruscic;L. Klasinc;A. Wolf;J. V. Knop
He I and He II photoelectron (PE) spectra of 1, 2, 3-, 1, 2, 4-, and 1, 3, 5-trichlorobenzene, 1, 2, 3, 4-, 1, 2, 3, 5-, and 1, 2, 4, 5-tetrachlorobenzene, and pentachlorobenzene are assigned downto ionization energies of 24 eV. The assignment is based both on the results of ab initio calculations and on empirical arguments considering the shapes and intensities of PE bandsystems and vibrational fine structure and is supported by simple interaction schemes within the symmetry rulesbased on the assignment of benzene, chlorobenzene, and dichlorobenzenes. Special attention is paid to ionization of chlorine lone pairs. In 1, 3, 5-trichlorobenzene several systems indicate Jahn-Teller splitting of the corresponding states of the radical cation.
