| Autor: |
Turowski, Michał, Crépin, Claudine, Gronowski, Marcin, Guillemin, Jean-Claude, Coupeaud, Anne, Couturier-Tamburelli, Isabelle, Piétri, Nathalie, Kołos, Robert |
| Předmět: |
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| Zdroj: |
Journal of Chemical Physics; 8/21/2010, Vol. 133 Issue 7, p074310, 9p, 1 Diagram, 6 Charts, 4 Graphs |
| Abstrakt: |
Electronic absorption and emission spectra have been investigated for cyanodiacetylene, HC5N, an astrophysically relevant molecule. The analysis of gas-phase absorption was assisted with the parallel rare gas matrix isolation experiments and with density functional theory (DFT) predictions concerning the excited electronic states. Mid-UV systems B 1Δ←X 1Σ+ (origin at 282.5 nm) and à 1Σ-←X 1Σ+ (306.8 nm) were observed. Vibronic assignments have been facilitated by the discovery of the visible phosphorescence ã 3Σ+←X 1Σ+ in solid Ar, Kr, and Xe. Phosphorescence excitation spectra, as well as UV absorption measurements in rare gas matrices, revealed the enhancement of Ã←X transitions. The vibronic structure of dispersed phosphorescence spectra supplied new data concerning the ground state bending fundamentals of matrix-isolated HC5N. The experimental singlet-triplet splitting, 2.92 eV in Ar, closely matches the value of 3.0 eV predicted by DFT. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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