Abstract
Abstract The conformational energies of model compounds of poly(thiomethylene), CH3(SCH2)nSCH3, (n=1–6) were calculated by the molecular-mechanics method. Based on these conformational energy differences, the configuration-dependent properties of poly(thiomethylene) were estimated under the rotational isomeric-state approximations. The first-order interaction energy of the (Remark: Graphics omitted.) bond, obtained from the energy differences among the conformers of CH3(SCH2)3SCH3, is coincident with that estimated from the same bond sequence for poly(1,3-dithiocane). Based on this coincidence, the monomeric sequential length of the model compound, which is representative of poly(thiomethylene), was decided. The propriety of the method of coupling the molecular-mechanics with the statistical-mechanics was also demonstrated.
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