The molecular and electronic structure of dibenzo[g,p]chrysene: A twisted case |
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| Authors: | Erik W. Thulstrup Jens Spanget-Larsen Jacek Waluk |
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| Affiliation: | (1) Inst. I, Roskilde University, P.O.B. 260, DK-4000 Roskilde, Denmark;(2) Inst. of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw, Poland |
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| Abstract: | Summary Studies of the electronic structure and spectrum of dibenzo [g,p]chrysene, carried out in 1965 and 1985, were not fully conclusive. They are repeated here by means of improved linear dichroism spectroscopy, quantum mechanical calculations of the spectra, and structural studies. Based on the new evidence, especially the observed transition moment directions, it is concluded that the molecule is nonplanar with D2 symmetry. The experimentally determined transition moment directions also allow a complete assignment of all significant transitions in the region 25 000 to 45 000 cm–1. All three possible (perpendicular) transition moment directions are represented among the observed electronic transitions.Dedicated to Jan Linderberg on the occasion of his 60th birthday |
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| Keywords: | Transition moments Linear dichroism Dibenzo[g,p]chrysene, conformation and UV spectra of |
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