By Nyulaszi L.
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For these two compounds there is first a complete superposition of the bands corresponding to the second and third ionization potentials. 30e V for the second: it corresponds to the ionization of the lone pair of the amino group that is conjugated with the ring T system. 75 eV. 5 eV corresponding to the nitro group. All the assignments could be confirmed with good precision by CNDO/S calculations (Table 1-20). Bernardi et al. (131) have studied the halogen derivatives experimentally and theoretically.
086 160 123 TABLE 1-7. CALCULATED DIPOLE MOMENT OF THIAZOLJ? 61 dm Ref. 86 (116,158). 0 0, = +63" e, = -930 system - n) Fig. 1-5. Dipole moment of thiazole. 37 TABLE 1-8. DlPOLE MOMENTS CALCULATED FOR VARIOUS THIAZOLE DERIVATlVES Thiazolc derivatives Calcd (Debye) Ref. Measured (Debye) Ref. 75 146 146 146 146 146 146 146 146 146 146 146 146 146 116 - - Thiazole 2-Methyl 4-Methyl 5-Methyl 4-Amino 5-Amino 2-Chloro 4-Chloro 5-Chloro w" (T- 77 PPP PPP W* U - 77 ab initio HMO w" PPP W* 0'' PPP w* W1 PPP w* W* PPP W* PPP W* PPP W* PPP W* PPP PPP 38 - - - - - - I.
1-10 and Table 1-23).
Aromaticity of Phosphorus Heterocycles by Nyulaszi L.