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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Yushina, Irina, Krylov A. S., Leonidov, Ivan I., Batalov, Vladimir, Chen, Yu-Sheng, Wang, Suyin Grass, Stash, Adam, Bartashevich E. V.
Заглавие : The influence of chalcogen atom on conformation and phase transition in chalcogenazinoquinolinium monoiodides
Коллективы :
Ministry of Science and High Education of Russian Federation [FENU 2020-0019]; ISSC UB RAS [AAAA-A19-119031890025-9]; Divisions of Chemistry (CHE) and Materials Research (DMR), National Science Foundation [NSF/CHE-1346572]; US DOEUnited States Department of Energy (DOE) [DE-AC02-06CH11357]
Место публикации : Acta Crystallogr. B. - 2021. - Vol. 77. - P.526-536. - ISSN 2052-5206, DOI 10.1107/S2052520621004571
Примечания : Cited References: 61. - This work was supported by the Ministry of Science and High Education of Russian Federation, project FENU 2020-0019. Additional spectroscopic studies were carried out in ISSC UB RAS (Research Program No. AAAA-A19-119031890025-9). Technical assistance from Ivan D. Popov (ISSC UB RAS) is strongly acknowledged. ChemMatCARS Sector 15 is principally supported by the Divisions of Chemistry (CHE) and Materials Research (DMR), National Science Foundation, under grant number NSF/CHE-1346572. Use of the Advanced Photon Source, an Office of Science User Facility operated for the US Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the US DOE under Contract No. DE-AC02-06CH11357
Предметные рубрики: LARGE STOKES SHIFT
D-PI-A
HALOGEN BONDS
ELECTRON LOCALIZATION
Аннотация: Crystalline chalcogenazinoquinolinium monoiodides, where the chalcogen atom is oxygen and sulfur, were studied using a combination of X-ray diffraction, Raman and UV-vis spectroscopies and photoluminescence experimental techniques. Periodic quantum-chemical calculations were performed to characterize the features of electronic structure and vibrational assignment. X-ray diffraction and Raman spectroscopy experiments consistently reveal phase transition of thiazinoquinolinium monoiodide at low temperatures with the decrease of symmetry to P1. The luminescence study for oxazinoquinolinium monoiodide reveals the excitation maximum at 532 nm and emission at 650 nm with significantly higher intensity than for the thiazinoquinolinium derivative. The studied chalcogenazinoquinolinium monoiodides demonstrate high values of Stokes shift up to 150 nm.
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