Relationship between the Molecular Structure and the Absorption Band Shape of Organic Dye

Jun, Kun; Gwon, Seon Yeong; Kim, Sung Hoon

doi:10.5764/TCF.2015.27.4.270

HOME > Journal Browse > About Journal > Journal Vol & Issue > Full Record

Relationship between the Molecular Structure and the Absorption Band Shape of Organic Dye

Journal title : Textile Coloration and Finishing
Volume 27, Issue 4, 2015, pp.270-274
Publisher : The Korean Society of Dyers and Finishers
DOI : 10.5764/TCF.2015.27.4.270

Title & Authors

Relationship between the Molecular Structure and the Absorption Band Shape of Organic Dye
Jun, Kun; Gwon, Seon Yeong; Kim, Sung Hoon;

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).

Keywords

absorption band shape;bond order;Pariser-Parr-Pople molecular orbital method(PPP-MO);merocyanine dye;cyanine dye;

Language

Korean

Cited by

2time(s) in KSCD

스타이렌 모노머를 이용한 색소 담지 마이크로캡슐의 제조,김지연;우지윤;민문홍;윤석한;여지애;김한도;염정현;

한국염색가공학회지, 2016. vol.28. 3, pp.164-174

Anthraquinone을 포함하는 신규 Phthaloperinone 색소의 합성과 특성에 대한 연구,전근;권선영;김유진;김성훈;

한국염색가공학회지, 2016. vol.28. 2, pp.57-62

2time(s) in CrossRef

Synthesis and Properties of New Phthaloperinone Dyes containing Anthraquinone Moiety, Textile Coloration and Finishing, 2016, 28, 2, 57

Study of Dye Encapsulated Microcapsule Polymerization Using Styrene Monomer, Textile Coloration and Finishing, 2016, 28, 3, 164

References

H. Zollinger, "Color Chemistry", VCH, New York, 1991.

B. M. Krasoviskii and B. M. Bolotin, "Organic Luminescent Materials", VCH, New York, 1988.

P. F. Gorden and P. Gregory, "Organic Chemistry in Colour", Springer-Verlag, Berlin, 1983.

S. H. Kim, "Functional Dyes", Elsevier, Amsterdam, 2006.

P. Gregory, "High-Technology Applications in Organic Colorants", Plenum Press, New York, 1991.

J. Griffiths, "Colour and Constitution of Organic Molecules", Academic Press, New York, 1976.

J. Fabian and H. Hartmann, "Light Absorption of Organic Colorants", Springer-Verlag, New York, 1980.

B. Delley, An All-electron Numerical Method for Solving the Local Density Functional for Polyatomic Polecules, J. Chem. Phys., 92(1), 508(1990).

B. Delley, From Molecules to Solids with the DMol3 Approach, J. Chem. Phys., 113(18), 7756 (2000).

10.

A. D. Boese and N. C. Handy, A New Parametrization of Exchange-Correlation Generalized Gradient Approximation Functionals, J. Chem. Phys., 114(13), 5497(2001).

11.

J. S. Bae, S. Y. Gwon, and S. H. Kim, Anthraquinone- carbamodithiolate Assembly as Selective Chromogenic Chemosensor for $Fe^{3+} $, Textile Coloration and Finishing, 25(1), 13(2013).

12.

Y. A. Son and S. H. Kim, Anthraquinone and Indole based Chemosensor for Fluoride Anions Detection, Textile Coloration and Finishing, 26(1), 1(2014).

13.

N. Tyutyulkov, J. Fabian, A. Mehlhorn, F. Dietz, and A. Tadjer, "Polymethine Dyes: Structure and Properties", St. Kliment Ohridski University Press, Sofia, 1991.