Article
  • Interpretation for Reactivity and Charge Transfer Spectrum with Charge Transfer Quantity of Maleic Anhydride Methyl Substituted Furan System
  • Lee GJ, Park BK, Kim WS
  • Maleic Anhydride와 Methyl Substituted Furan계의 착체 전하이동량과 반응성 및 전하이동 스펙트럼의 해석
  • 이길준, 박병각, 김우식
Abstract
The relative reactivity and charge transfer spectra were interpreted for the charge transfer complex of maleic anhydride-furan(F) system and maleic anhydride-methyl substituted furan (2-MF, 3-MF, 2,3-OMF, 2,4-DMF, 3,4-DMF, 2,5-DMF) systems. We have calculated the extend of charge transfer assuming the charge transfer complex of Diels-Alder configuration by semiempirical CNDO/2 method. The relative order of the extend of charge transfer was found to be ; F<3-MF<2-MF<2,4-DMF<2,3-DMF<3,4-DMF<2,5-DMF This order was well correlated with the relative order of the maximum absorption wavelength of charge transfer spectra. We have also discussed relationship between the extend of harge transfer and reactivity.

Maleic anhydride와 furan(F) 그리고 maleic anhydride와 메틸기가 치환된 furan 모노머들(2-MF, 3-MF, 2,3-DMF 2,4-DMF, 3,4-DMF, 2,5-DMF)이 이루는 전하이동착체의 상대적인 반응성과 전하이동 스펙트라를 해석하였다. 위의 전하이동착체를 Diels-Alder 형태로 가정하여 반경험적 CNDO/2법으로 구한 양자 화학적인 양을 이용하여 얻은 전하이동량의 상대적인 순서는 F<3-MF<2-MF<2,4-DMF<2,3-DMF<3,4-DMF<2,5-DMF와 같았다. 위의 순서로 전하 이동 스펙트라의 최대흡수파장의 상대적인 위치를 예측하였다. 또한 전하이동량과 반응성 사이의 관계에 대해 논의하였다.

Keywords: charge transfer complex; CNDO/2; Diels-Alder configuration; reactivity

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  • Polymer(Korea) 폴리머
  • Frequency : Bimonthly(odd)
    ISSN 0379-153X(Print)
    ISSN 2234-8077(Online)
    Abbr. Polym. Korea
  • 2023 Impact Factor : 0.4
  • Indexed in SCIE

This Article

  • 1996; 20(1): 63-68

    Published online Jan 25, 1996