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BUTLER, GEORGE B.,DO, CHOON H.,ZERNER, MICHAEL C. 순천대학교 기초과학연구소 1990 基礎科學硏究誌 Vol.1 No.-
The stereochemistry of alternating copolymers of styrene (ST) with maleic anhydride (MA) was examined by ^13C-NMR spectroscopy, and the stabilization energies and the most stable geometries of complexes and adducts between ST and MA were calculated by the PVCILO program and by INDO/1. The methine and carbonyl atoms of the MA portion and the quaternary carbon atom of the ST portion reveal defferent stereochemistries due to various polymerization conditions, suggesting that the donor-acceptor complex may participate in the copolymerization. The complex postulated according to the Diels-Alder geometry was more stable than that according to [2+2] cycloaddition geometry. It is believed that the stabilization energy is so great that the copolymerization occurs spontaneously via forming a donor-acceptor complex and adducts. The geometries of 1:1 adducts formed by endo and exo approaches in the Diels-Alder geometry mode were also calculated.