Abstract
Abstract Several model compounds of poly(thiotrimethylene), including one to four thiotrimethylene units, were studied by means of a molecular mechanics method. The geometric and statistical weight parameters were directly derived from the results of molecular mechanics calculations concerning several conformers of these model compounds. Although the first-order interactions of poly(thiotrimethylene) were significantly larger than those of poly(oxyalkylenes), the second-order interactions of this polymer were much smaller. The “gauche effect” by sulfur atoms seemed to be mainly caused by small second-order interactions. By means of the model, compounds including more than three repeating units, the calculated configuration-dependent properties were in better agreement with the experimental ones than that calculated earlier. The better agreement was obtained by varying some of the geometric parameters. Compounds including more than three repeating units of the polymer were available as model compounds. Since this was also true in poly(oxyalkylenes), it was found that a combination of the methods of molecular and statistical mechanics was sufficiently effective to investigate the configurational properties of poly(thiotrimethylene).
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