Journal of Photoscience

Korean Society of Photoscience (한국광과학회)
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THEORETICAL ANALYSIS ON THE PHOTOCHEMISTRY OF COUMARIN DERIVATIVES

  • Kim, Ja-Hong (School of Chemical Science & Technology, Chonbuk National University) ;
  • Sohn, Sung-Ho (School of Chemical Science & Technology, Chonbuk National University) ;
  • Kim, Jung-Sung (Dept. of Chemistry Education, Taegu Univ,)
  • Published : 1995.06.01
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Abstract

The photodimers with cyclobutane rings and C$_2$ symmetry, derived from coumarin (syn, head to tail and anti, head to head) have been calculated by PM3-UHF-CI and Molecular Mechanics force field. The photocycloaddition to coumarin and 5,7-dimethoxycoumarin(DMC) dimers were deduced to be formed by their preferable frontier orbital interactions and via more stable cycloaddition by the C$_3$, C$_4$ bond. These results are consistent with the coumarin dimer model that the theoretical C$_4$-photocyclodimer of coumarin is predicted much more than the experimental C$_4$-photocyclodimer.

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References

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