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

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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 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

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