dc.creator McRae, Eion G. en_US dc.creator Goodman, Lionel en_US dc.date.accessioned 2006-06-15T12:44:10Z dc.date.available 2006-06-15T12:44:10Z dc.date.issued 1955 en_US dc.identifier 1955-A-7 en_US dc.identifier.uri http://hdl.handle.net/1811/7339 dc.description Author Institution: Department of Chemistry, Florida State University en_US dc.description.abstract Using semiempirical methods, the transition energies and oscillator strengths of the four long-wavelength singlet-singlet bands in substituted benzenes have been calculated as a function of the angle of twist of the $\pi$-orbital of a substituent group. The corresponding singlet-triplet energies have also been investigated. Three factors enter importantly into the treatment: (a) The functional dependence of the orbital energies on the twist $angle,^{1}$ (b) the degree of mixing of the excited configurations (leading to states corresponding to the $E_{1u}$, $B_{1u}$, $B_{2u}$ states of benzene), (c) the amount of conjugative and inductive interaction of the twisted substitutent group with the ring. Special reference is made to the dimethylanilines. en_US dc.format.extent 74446 bytes dc.format.mimetype image/jpeg dc.language.iso English en_US dc.publisher Ohio State University en_US dc.title CALCULATIONS ON THE EFFECT OF TWISTING OF SUBSTITUTENT GROUPS IN SUBSTITUTED BENZENES. $SPECTRA,^{*}$ en_US dc.type article en_US
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