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The influence of chalcogen atom on conformation and phase transition in chalcogenazinoquinolinium monoiodides
Author(s) -
Yushina Irina,
Krylov Alexander,
Leonidov Ivan I.,
Batalov Vladimir,
Chen Yu-Sheng,
Wang Suyin Grass,
Stash Adam,
Bartashevich Ekaterina
Publication year - 2021
Publication title -
acta crystallographica section b
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.604
H-Index - 33
ISSN - 2052-5206
DOI - 10.1107/s2052520621004571
Subject(s) - chalcogen , raman spectroscopy , photoluminescence , luminescence , diffraction , phase transition , atom (system on chip) , chemistry , stokes shift , crystallography , spectroscopy , materials science , analytical chemistry (journal) , optics , physics , condensed matter physics , optoelectronics , chromatography , quantum mechanics , computer science , embedded system
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 P 1 . 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.