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- W2057976872 abstract "The ET spectra of monosubstituted benzenes containing the −OH, −OCH3, −OC(CH3)3, −SH, −SCH3, −SC(CH3)3 and −NHCH3 groups show that in the non-hindered nitrogen and oxygen derivatives the lone pair/π* interaction produces a significant destabilization of the ring 4b1π* MO, while the electron affinity (EA) of the LUMO π* 2a2 is close to that of benzene. The stabilization of the empty π* MOs produced by the sulphur-containing substituents demonstrates the presence of interacting empty orbitals localized at the substituent. The stabilizing effect of these orbitals does not change significantly with the σ framework of the substituent nor with its torsional angle around the S-ring bond. This is consistent with the S 3d character of the stabilizing orbitals. The EA increase of the LUMO in the rotated −SC(CH3)3 derivative is mainly ascribed to the reduced interaction between the S lone-pair orbital and the 4b1 π* MO, and, in part, to σ*/π* interaction." @default.
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- W2057976872 date "1983-05-01" @default.
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- W2057976872 title "The nature of the stabilizing effect of thio groups on the Π anion states of benzene studied by means of electron transmission spectroscopy" @default.
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- W2057976872 doi "https://doi.org/10.1016/0301-0104(83)85072-1" @default.
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