Article
  • MO Interpretation for Diels-Alder Complex Model of Maleic anhydride-Furan and Maleic Anhydride-Pyrrole Systems(I)
  • Lee GJ, Kim WS, Park BK
  • Maleic Anhydride-Furan계와 Maleic Anhydride-Pyrrole계의 Diels-Alder 착체모형에 대한 분자궤도 함수론적 해석(I)
  • 이길준, 김우식, 박병각
Abstract
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.

References
  • 1. Mayo FR, Lewis FM, J. Am. Chem. Soc., 66, 1954 (1944)
  •  
  • 2. Ham GE, J. Polym. Sci., 45, 169 (1960)
  •  
  • 3. Dodgson K, Ebdon JR, Eur. Polym. J., 13, 791 (1977)
  •  
  • 4. Odian GPrinciples of Polymerization, 2nd ed., pp. 476-483, Wiley-Interscience Publication, U.S.A. (1981)
  •  
  • 5. Zaitseva VV, Zaitsev SY, Zaitsev YS, Macromolecules, 25, 2551 (1992)
  •  
  • 6. Ebdon JR, Towns CR, Dodgson K, J. Macromol. Sci.-Rev. Macromol. Chem. Phys., C26(4), 523 (1986)
  •  
  • 7. Farmer RG, Hill DJT, O'Donnell JH, J. Macromol. Sci.-Chem., A14(1), 51 (1980)
  •  
  • 8. Butler GB, Do CH, Zerner MC, Macromolecules, 25, 1858 (1992)
  •  
  • 9. Ragab YA, Butler GB, J. Polym. Sci. A: Polym. Chem., 19, 1175 (1981)
  •  
  • 10. Kamo B, Morita I, Horie S, Furusawa S, Polym. J., 6, 121 (1974)
  •  
  • 11. Ragab YA, J. Polym. Sci. A: Polym. Chem., 29, 773 (1991)
  •  
  • 12. Pople JA, Beveridge DLApproximate Molecular Orbital Theory, McGraw-Hill, U.S.A. (1970)
  •  
  • 13. Lipkowitz KB, Body DBREviews in Computational Chemistry, Vol. 2, p. 489, VCH, U.S.A. (1991)
  •  
  • 14. Butler GB, Bodgett JT, Sharabash M, J. Macromol. Sci.-Chem., A4(1), 51 (1970)
  •  
  • 15. Hall HK, Angew. Chem.-Int. Edit., 22, 440 (1974)
  •  
  • Polymer(Korea) 폴리머
  • Frequency : Bimonthly(odd)
    ISSN 0379-153X(Print)
    ISSN 2234-8077(Online)
    Abbr. Polym. Korea
  • 2022 Impact Factor : 0.4
  • Indexed in SCIE

This Article

  • 1994; 18(3): 303-308

    Published online May 25, 1994