The reactivity was interpreted for the alternative copolymerization of Maleic anhydride-Furan and Maleic anhydride-Pyrrole systems by semiempirical CNDO/2 method. The respective values of charge transfer were 2.2518, 2.6381 in the unit of (γ/a.u.)² between Maleic anhydride and Furan, and Maleic anhydride and Pyrrole based on charge transfer complex model of Diels-Alder configuration. Since the charge transfer complex of Maleic anhydride-Pyrrole is considerable stable compared to that of Maleic anhydride-Furan, It would be considered that Maleic anhydride-Pyrrole system does not proceed to alternative copolymerization. We also theoretically discussed the structure of poly[(maleic anhydride)-alt-Furan] on the basis of the above model.

Maleic anhydride-Furan계와 Maleic anhydride-Pyrrole계의 교호 공중합의 반응성을 반경험적인 CNDO/2 방법으로 해석하였다. Diels-Alder 형내의 전하이동착체를 가정하여 Maleic anhydride와 Furan사이, Maleic anhydride와 Pyrrole 사이의 전하이동량을 계산하여 각각 2.2518, 2.6381(γ/a.u.)² 값을 얻었다. Maleic anhydride-Pyrrole 착체의 경우 ,Maleic anhydride-Furan 착체보다 안정하므로 공중합이 진행하지 않는다는 것을 추측할 수 있었다. 또한 분자궤도함수론적 관점에서 전하이동착체를 고려하여 poly[(maleic anhydride)-alt-Furan)의 구조에 대해서 논하였다.

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