Theory of D-(—)-Luciferin in Ethanol
1980 年 49 巻 4 号 p. 1519-1523
詳細
1980 年 49 巻 4 号 p. 1519-1523
The optical absorption of D-(—)-luciferin (LH2) in ethanol is calculated by our previous LCAO–ASMO–SCF–CI method for π-electrons.
It is found that the wavelengths of absorption of LH2 observed in ethanol can be reproduced only when the screening of two-center Coulomb repulsion integrals is taken into account for all the pairs of atoms except bonded ones. It is also found that the observed absorption spectrum can be explained by the model of LH2 interacting with two ethanol point-dipoles.
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