A Theoretical Analysis of Rotational Isomerism; CNDO/2 Calculations of <i>i</i>-PrSMe, <i>i</i>-PrSEt, <i>i</i>-Pr–S–<i>n</i>-Pr, and (<i>i</i>-Pr)2S

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  • Masaru Ohsaku
    Department of Chemistry, Faculty of Science, Hiroshima University
  • Norihisa Bingo
    Department of Chemistry, Faculty of Science, Hiroshima University
  • Kanzo Eida
    Department of Chemistry, Faculty of Science, Hiroshima University
  • Hiromu Murata
    Department of Chemistry, Faculty of Science, Hiroshima University

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<jats:title>Abstract</jats:title> <jats:p>CNDO/2 calculations of i-PrSMe, i-PrS-Et, i-Pr–S–n-Pr, and (i-Pr)2S gave the stable conformations of these molecules and the optimized angles of φ(CSC) of the first three molecules considered.</jats:p>

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