Symmetry breaking and spectra of diphenyloctatetraene in n-alkanes

Walser, Daniel, Zumofen, Gert and Plakhotnik, Taras (2000) Symmetry breaking and spectra of diphenyloctatetraene in n-alkanes. Journal of Chemical Physics, 113 18: 8047-8058. doi:10.1063/1.1315360

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Author Walser, Daniel
Zumofen, Gert
Plakhotnik, Taras
Title Symmetry breaking and spectra of diphenyloctatetraene in n-alkanes
Formatted title
Symmetry breaking and spectra of diphenyloctatetraene in n-alkanes
Journal name Journal of Chemical Physics   Check publisher's open access policy
ISSN 0021-9606
1089-7690
Publication date 2000-11-08
Year available 2000
Sub-type Article (original research)
DOI 10.1063/1.1315360
Open Access Status File (Publisher version)
Volume 113
Issue 18
Start page 8047
End page 8058
Total pages 12
Place of publication Melville, NY, United States
Publisher A I P Publishing LLC
Language eng
Abstract One- and two-photon excitation spectra, as well as absorption and emission spectra of diphenyloctatetraene (DPOT) in n-alkanes are investigated at low temperatures. For DPOT in n-octane we report on the measurements of one-photon excitation and emission spectra and for DPOT in n-tetradecane (TD) on the measurements of one- and two-photon excitation spectra and emission spectra. The spectra are governed by the transitions between the electronic ground (S-0) and the two lowest electronic excited singlet states (S-1,S-2). The interpretation is based on allowed transitions and transitions induced by the S-1-S-2 coupling due to Herzberg-Teller promoting modes or due to static lattice-induced distortions of DPOT. A single noncentrosymmetric site is observed for DPOT in n-octane. For DPOT in TD a centrosymmetric and a noncentrosymmetric site are reported. The analysis indicates that there is a dynamical equilibrium in the population of these two sites. The experimental data are quantitatively studied by comparison with simulated spectra. The simulation calculations are based on the coupling between nonadiabatic S-1 and S-2 states, harmonic modes, and suitable transition moments and line-shape functions. For DPOT in TD the calculations reveal an interesting interference pattern in the vibronic progressions observed in two-photon excitation spectra. (C) 2000 American Institute of Physics. [S0021-9606(00)00942-9].
Formatted abstract
One- and two-photon excitation spectra, as well as absorption and emission spectra of diphenyloctatetraene (DPOT) in n-alkanes are investigated at low temperatures. For DPOT in n-octane we report on the measurements of one-photon excitation and emission spectra and for DPOT in n-tetradecane (TD) on the measurements of one- and two-photon excitation spectra and emission spectra. The spectra are governed by the transitions between the electronic ground (S0) and the two lowest electronic excited singlet states (S1,S2). The interpretation is based on allowed transitions and transitions induced by the S1S2 coupling due to Herzberg–Teller promoting modes or due to static lattice-induced distortions of DPOT. A single noncentrosymmetric site is observed for DPOT in n-octane. For DPOT in TD a centrosymmetric and a noncentrosymmetric site are reported. The analysis indicates that there is a dynamical equilibrium in the population of these two sites. The experimental data are quantitatively studied by comparison with simulated spectra. The simulation calculations are based on the coupling between nonadiabatic S1 and S2 states, harmonic modes, and suitable transition moments and line-shape functions. For DPOT in TD the calculations reveal an interesting interference pattern in the vibronic progressions observed in two-photon excitation spectra.
Keyword Chemistry, Physical
Physics, Atomic, Molecular & Chemical
Chemistry
Physics
PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
Q-Index Code C1
Q-Index Status Provisional Code
Institutional Status Non-UQ

Document type: Journal Article
Sub-type: Article (original research)
Collection: School of Mathematics and Physics
 
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