Preferred Conformations Of Methylthio-acetone And -acetophenone, Methylsulphonyl-acetone And -acetophenone, From Molecular-mechanics And Dipole-moment Techniques
- Lumbroso H.
- Bertin D.M.
- Olivato P.R.
- Bonfada E.
- Mondino M.G.
- Hase Y.
DOIAbstract
Preferred conformations for the title compounds are determined from calculated molecular-mechanics energies in the gaseous phase and analysis of the dipole moments measured in solvents of low dielectric permittivity, In all cases, the gauche conformer having the MeS bond situated far away from the Me(C) (or Ph(C)) group, and nearly bisecting one of the C(O)CH valleys, is predominant. © 1989.212C113122Wladislaw, Viertler, Olivato, Calegão, Pardini, Rittner, (1980) J. Chem. Soc., p. 453. , Perkin Trans. 2Guerrero, Barros, Wladislaw, Rittner, Olivato, (1983) J. Chem. Soc., p. 1053. , Perkin Trans. 2Olivato, Viertler, Wladislaw, Cole, Sandorfy, On the photoelectron and ultraviolet spectra of molecules containing a divalent sulfur atom and a car...
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