Photoelectron (HeI) Spectra of Aromatic Thiocarbonyls and Corresponding S-Oxides
Keyword(s):
The low ionization energy regions of the photoelectron (He I) spectra of several p-p′-substituted thiobenzophenones (X-C6H4)2CS and of the corresponding S-oxides (sulphines) (XC6H4)2CSO (where X = H , OCH3, CH3, I, Br, Cl and NO2) have been assigned on the basis of perturbational molecular orbital theory arguments coupled with CNDO/2 computations and substituent effects. For the thioketones, the ordering of the outermost MO's results to be n(S), π7, π6, π5/π4, π3, n(S) being the HOMO; while for the sulphines the two outermost MO’s have π character and correspond to π7 and π6 in the thioketones.In the light of the above results the different behaviour toward oxidation of these two classes of compounds can be rationalized.
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1977 ◽
Vol 99
(17)
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pp. 5821-5822
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Keyword(s):
1977 ◽
Vol 99
(18)
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pp. 5901-5909
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1978 ◽
Vol 100
(5)
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pp. 1387-1394
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1967 ◽
Vol 89
(17)
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pp. 4253-4261
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1981 ◽
Vol 2
(4)
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pp. 422-432
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