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2005 Fiscal Year Final Research Report Summary

Studies on dye loss mechanism of reactive dyeings

Research Project

Project/Area Number 16500480
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field General human life sciences
Research InstitutionOtsuma Women's University

Principal Investigator

OKADA Yasuyo  Otsuma Women's Univ., School of Domestic Science, Prof., 家政学部, 教授 (90118729)

Co-Investigator(Kenkyū-buntansha) OGINO Taeko  Otsuma Women's Univ., School of Domestic Science, Research Assistant, 家政学部, 助手
HIHARA Toshio  DyStar Japan Limited, Technical Center, General Manager, テクニカルセンター, 所長
Project Period (FY) 2004 – 2005
Keywordsreactive dye / azo dye / electrophilic frontier density / PM5 method / ene reaction / reaction with singlet oxygen / [2+2] cycloaddition / azo-hydrazone tautomerism
Research Abstract

(1)The azo-hydrazone tautomerism (AHT) was analyzed through the enthalpies of formation estimated for ten yellow reactive dyes in their hydrolyzed forms using semiempirical molecular orbital (MO) PM5 and COSMO methods according to the group additivity analysis of the AHT.
(2)Photo-oxidative fading of reactive pyrazolinylazo and azobenzene dyes (seven) and of reactive azo dyes derived from J-acid and γ-acid (eleven) was examined by exposing the dyed cellulose films immersed in an aerobic aqueous Rose Bengal solution to a carbon arc. The ease with which the dye was photo-oxidized was determined as k_0, the second-order rate constant of the reaction of the dye with ^1O_2. Using the same procedure to determine the AHT, reported above, the reactivity of the tautomer of dyes toward ^1O_2 was analyzed according to frontier orbital theory. The probable reaction modes are ene and [2+2] cycloaddition towards the double bonds. The k_0-values obtained had a close correlation with the sum of Fukui's electrophilic frontier densities, f_r^<(E)>, at both atoms of the corresponding double bonds, a linear correlation between log k_0 and the sum of f_r^<(E)>, although the correlation lines for the eleven dyes differed from the correlation lines for seven pyrazolinylazo and azobenzene dyes.

  • Research Products

    (9 results)

All 2006 2004 Other

All Journal Article (8 results) Book (1 results)

  • [Journal Article] Photo-oxidation of Pyrazolinylazo Dyes and Analysis of Reactivity as Azo and Hydrazone Tautomers using Semiempirical Molecular Orbital PM5 Method,2006

    • Author(s)
      T.Hihara, Y.Okada, Z.Morita
    • Journal Title

      Dyes Pigm., 69(2)

      Pages: 151-176

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] Photo-oxidation of Pyrazolinylazo Dyes and Analysis of Reactivity as Azo and Hydrazone Tautomers using Semiempirical Molecular Orbital PM5 Method,2006

    • Author(s)
      T.Hihara, Y.Okada, Z.Morita
    • Journal Title

      Dyes and Pigments 69(2)

      Pages: 151-176

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] An Analysis of Azo-Hydrazone Tautomerism of Reactive Azobenzene and Pyrazolinylazo Dyes,using the Semiempirical Molecular Orbital PM5 Method.2004

    • Author(s)
      T.Hihara, Y.Okada, Z.Morita
    • Journal Title

      Dyes Pigm., 61(3)

      Pages: 199-225

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] One-Bath Dyeing of Polyester/Cotton Blends with Reactive Disperse Dyes in Supercritical Carbon Dioxide.2004

    • Author(s)
      S.Maeda, K.Kunitou, T.Hihara, K.Mishima
    • Journal Title

      Textile Research Journal, 74(11)

      Pages: 989-994

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] An Analysis of Azo-Hydrazone Tautomerism of Reactive Azobenzene And Pyrazolinylazo Dyes, using the Semiempirical Molecular Orbital PM5 Method,2004

    • Author(s)
      T.Hihara, Y.Okada, Z.Morita
    • Journal Title

      Dyes and Pigments 61(3)

      Pages: 199-225

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] One-Bath Dyeing of Polyester/Cotton Blends with Reactive Disperse Dyes in Supercritical Carbon Dioxide.2004

    • Author(s)
      S.Maeda, K.Kunitou, T.Hihara, K.Mishima
    • Journal Title

      Textile Research Journal 74(11)

      Pages: 989-994

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] A semiempirical molecular orbital study of the photo-reactivity of monoazo reactive dyes derived from γ-and J-acid,

    • Author(s)
      T.Hihara, Y.Okada, Z.Morita
    • Journal Title

      Dyes Pigm., in press.

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] A Semiempirical Molecular Orbital Study of the Photo-reactivity of Monoazo Reactive Dyes Derived from γ- and J-acid,

    • Author(s)
      T.Hihara, Y.Okada, Z.Morita
    • Journal Title

      Dyes and Pigments (in press)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Book] 家政学事典〔新版〕2004

    • Author(s)
      岡田 安代(分担執筆)
    • Total Pages
      961
    • Publisher
      朝倉書店
    • Description
      「研究成果報告書概要(和文)」より

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Published: 2007-12-13  

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