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KMID : 1059519960400020122
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Journal of the Korean Chemical Society
1996 Volume.40 No. 2 p.122 ~ p.127
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Absorption Spectra and PPP-MO Calculation of Fluorane Dyes
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Kim Sung-Hoon
Hwang Seok-Hwan
Song Han-Chul
Gwon Tae-Sun
Doh Myung-Ki
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Abstract
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The PPP-MO method has been used to calculate the π electronic excitation energy of fluorane dyes. A good correlation between the absorbed and calculated values for the π→π* transition was found for fluorane dyes. The effect of substituents on the color of fluorane dye was studied on the basis of these calculated results, i.e. HOMO-LUMO energy levels and π-electron-density changes accompanying the first excitation.
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