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• W2093058897 abstract "The photoelectron (HeI) spectra of 1,3-thiazole and its 2F, 2Cl, 2Br, 4Br and 5Br-derivatives are reported. The assignment of the first few bands of the various spectra to the corresponding molecular orbital is based, for thiazole, on the results of an ab initio SCF—MO calculation, while for the various halogen derivatives, on reasonings based on perturbation theory. In particular, the first five outermost molecular orbitals of thiazole probably correspond to π3 (9.50 eV), π2 (10.24), σN (10.48; orbital mainly localized on the nitrogen atom), σS (12.78; orbital mainly localized on the sulphur atom) and π1 (13.5)." @default.
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• W2093058897 date "1976-01-01" @default.
• W2093058897 modified "2023-09-28" @default.
• W2093058897 title "A pes study on 1,3-thiazole and its monosubstituted halogen derivatives" @default.
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• W2093058897 doi "https://doi.org/10.1016/0368-2048(76)81032-8" @default.
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