Singlet and triplet transitions in UV absorption spectra of pentacene
- Авторлар: Khatymova L.Z.1, Kinzyabulatov R.R.1, Khvostenko O.G.1
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Мекемелер:
- Institute of Molecule and Crystal Physics, Ufa Research Center
- Шығарылым: Том 52, № 1 (2018)
- Беттер: 38-44
- Бөлім: Photonics
- URL: https://journal-vniispk.ru/0018-1439/article/view/157316
- DOI: https://doi.org/10.1134/S0018143918010058
- ID: 157316
Дәйексөз келтіру
Аннотация
The UV absorption spectrum of pentacene in hexane solution and the diffuse UV reflectance spectrum for its solid sample have been obtained. A spectral band due to structural features resulting from intermolecular interactions in the solid state was detected for the solid sample at the energy of 1.51 eV. The types of detected electronically excited states for pentacene have been determined, and dominating electronic configurations have been interpreted using TD B3LYP/6-31G quantum-chemical calculations. The types of pentacene occupied and unoccupied molecular orbitals involved in electronic transitions have been determined from published photoelectron spectroscopy data for pentacene with the preliminary assignment of the relevant photoionization bands using the B3LYP/6-31G calculation method.
Авторлар туралы
L. Khatymova
Institute of Molecule and Crystal Physics, Ufa Research Center
Хат алмасуға жауапты Автор.
Email: lesya0706@ya.ru
Ресей, Ufa, 450075 Bashkortostan
R. Kinzyabulatov
Institute of Molecule and Crystal Physics, Ufa Research Center
Email: lesya0706@ya.ru
Ресей, Ufa, 450075 Bashkortostan
O. Khvostenko
Institute of Molecule and Crystal Physics, Ufa Research Center
Email: lesya0706@ya.ru
Ресей, Ufa, 450075 Bashkortostan
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