Textile Coloration and Finishing (한국염색가공학회지)

The Korean Society of Dyers and Finishers (한국염색가공학회)
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Relationship between the Molecular Structure and the Absorption Band Shape of Organic Dye

유기색소의 흡수대 형태와 분자구조와의 상관성

  • Jun, Kun (Division of Green Chemistry and Engineering Research, Korea Research Institute of Chemical Technology) ;
  • Gwon, Seon Yeong (Department of Textile System Engineering, Kyungpook National University) ;
  • Kim, Sung Hoon (Department of Textile System Engineering, Kyungpook National University)
  • 전근 (한국화학연구원 그린화학공정연구본부) ;
  • 권선영 (경북대학교 섬유시스템공학과) ;
  • 김성훈 (경북대학교 섬유시스템공학과)
  • Received : 2015.09.17
  • Accepted : 2015.11.12
  • Published : 2015.12.27
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Abstract

Molecules always show broad absorption band envelopes, and this results from the vibrational properties of bonds. The width of an absorption band can have an important influence on the color of a dye. A narrow band imparts a bright, spectrally pure color to the dye, whereas a broad band can give the same hue, but with a much duller appearance. Typically, half-band widths of cyanine dyes are about 25nm compared to value of over 50nm for typical merocyanine dyes. Thus, cyanine dyes are exceptionally bright. The factors influencing the width of an absorption band can be understood with reference to the Morse curves. The width of the absorption band depends on how closely the bond order of the molecules in the first excited state resembles that in the ground state. We have quantitatively evaluated the "molecular structure-absorption band shape" relationship of dye molecules by means of Pariser-Parr-Pople Molecular Orbital Method(PPP-MO).

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References

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