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2001 | 100 | 6 | 845-858
Article title

Analysis of the Origin Band of Acridine Dimer Fluorescence Excitation Spectrum - Conformations of Jet-Cooled Acridine Dimer

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EN
Abstracts
EN
The analysis of rotational band contour for the origin transition of fluorescence excitation spectrum of acridine dimer, earlier observed under conditions of jet-cooling in supersonic helium expansion, has been performed. An optimized ground-state equilibrium structure of acridine dimer fits the approximation of asymmetric top rigid rotor. In this approximation rotational constants were determined and an A-type rotational band was computed. It has turned out that the computed rotational band contour is much narrower than the experimental one. In search for the reasons of this discrepancy between calculations and experiment, an analysis of relative rotational motion of acridine moieties of the dimer was carried out. It was found that minima of potential energy curves for rotational motion, although very flat, under conditions of supersonic expansion can acquire (in their shallow local minima) non-vanishing population of slightly different conformations of the dimer. It was shown that in terms of non-statistical distribution of such populations, the origin bands of individual conformations may contribute to the experimental band contour.
Keywords
EN
Publisher

Year
Volume
100
Issue
6
Pages
845-858
Physical description
Dates
published
2001-12
received
2001-08-08
Contributors
  • Institute of Physics, Polish Academy of Sciences, al. Lotników 32/46, 02-668 Warsaw, Poland
author
  • Institute of Physics, Polish Academy of Sciences, al. Lotników 32/46, 02-668 Warsaw, Poland
References
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Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.bwnjournal-article-appv100n608kz
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