caa a22 4500 465818773 CHVBK 20180323112129.0 cr unu---uuuuu 170327e19901101xx s 000 0 eng 10.1007/BF00528880 doi (NATIONALLICENCE)springer-10.1007/BF00528880 Theoretical analysis of the internal rotation and determination of molecular structures of HSSH, HSSF and FSSF [Elektronische Daten] [C. Cárdenas-Lailhacar, A. Toro-Labbé] Summary: A detailed investigation of the internal rotation of hydrogen persulfide and fluoro-derivatives is presented. High quality potential functions containing only three and four parameters were determined through a very simple interpolation method. Reduced torsional potentials are defined and used to assess the quality of the interpolated functions. Equilibrium structures and barriers to internal rotation reported here are in close agreement with the available experimental data. High barrier heights and the comparative analysis of structural parameters of all three molecules indicate significant π bonding through the mechanism of hyperconjugation. Springer-Verlag, 1990 Internal rotation nationallicence Torsional potential nationallicence Rotational isomerism nationallicence Hydrogen persulfide nationallicence Cárdenas-Lailhacar C. Departamento de Química, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago, Chile aut Toro-Labbé A. Departamento de Química, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago, Chile aut Theoretica chimica acta Springer-Verlag 76/6(1990-11-01), 411-422 0040-5744 76:6<411 1990 76 214 https://doi.org/10.1007/BF00528880 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF00528880 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Cárdenas-Lailhacar C. Departamento de Química, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago, Chile aut NATIONALLICENCE 700 1- Toro-Labbé A. Departamento de Química, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago, Chile aut NATIONALLICENCE 773 0- Theoretica chimica acta Springer-Verlag 76/6(1990-11-01), 411-422 0040-5744 76:6<411 1990 76 214 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer