Journal of Photoscience
- Volume 12 Issue 3
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- Pages.185-186
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- 2005
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- 1225-8555(pISSN)
Ab Initio Study on the Psoralen(I)
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Kim, Ja-Hong
(Department of Chemistry Education, Chonbuk National University)
;
- Kwon, O-Hyung (Department of Chemistry Education, Chonbuk National University)
- Published : 2005.12.31
Abstract
The electronic structure of photoskinsensitizing psoralens has been investigated by the ab initio calculations. The photocycloaddition reaction of 8-methoxypsoralen with thymine is studied as a model for the photosensitizing reaction of psoralen with DNA bases. The photocycloadduct was inferred to be a C4-cycloaddition product with the stereochemistry of Syn, H-H, Syn, H-T formed through [2+2] addition reaction between the 3,4-double bonds of 8-methoxypsoralen and 5,6-double bond of thymine base.