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The Electronic Structure of Carcinogenic Dibenzopyrenes: Linear Dichroism, Fluorescence Polarization Spectroscopy and Quantum Mechanical Calculations
Author(s) -
Andersen Kristine B.,
Waluk Jacek,
Thulstrup Erik W.
Publication year - 1999
Publication title -
photochemistry and photobiology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.818
H-Index - 131
eISSN - 1751-1097
pISSN - 0031-8655
DOI - 10.1111/j.1751-1097.1999.tb03269.x
Subject(s) - pyrene , linear dichroism , chemistry , circular dichroism , spectroscopy , dichroism , molecule , fluorescence spectroscopy , fluorescence , photochemistry , fluorescence anisotropy , electronic structure , polarization (electrochemistry) , vibrational circular dichroism , computational chemistry , crystallography , organic chemistry , physics , optics , biochemistry , quantum mechanics , membrane
— In studies of polycyclic aromatic hydrocarbon carcinogenicity three dibenzopyrenes have been named as the strongest mutagens together with the frequently studied benzo[a]pyrene. A detailed study of the electronic structure of one of the three compounds, dibenzo [ a, i ] pyrene, was performed several years ago. Here we present a similar study of the two remaining compounds, dibenzo [ a, h ] pyrene and dibenzo [ a, e ] pyrene. The studies include electronic linear dichroism spectra, fluorescence polarization spectra and quantum mechanical calculations for both molecules, as well as vibrational linear dichroism spectra for the former of the two.