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Structural and Photophysical Properties of 2,1,3-Benzothiadiazole-Based Phosph(III)azane and Its Complexes

Nikolaev Institute of Inorganic Chemistry, Siberian Branch of the Russian Academy of Sciences, 630090 Novosibirsk, Russia
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Molecules 2020, 25(10), 2428; https://doi.org/10.3390/molecules25102428
Received: 28 April 2020 / Revised: 17 May 2020 / Accepted: 17 May 2020 / Published: 22 May 2020
(This article belongs to the Special Issue Polysulfur- and Sulfur-Nitrogen Heterocycles)
Here we describe the synthesis of a novel N,N’-bis(2,1,3-benzothiadiazol-4-yl)-1-phenylphosphanediamine (H2L) and its zinc (II) and copper (I) coordination compounds [Zn2L2]·nC7H8 (1·nC7H8), [Zn2(H2L)2Cl4]·nC7H8 (2·nC7H8), and [Cu(H2L)Cl]n·nTHF (3·THF). According to single crystal X-ray diffraction analysis, H2L ligand and its deprotonated species exhibit different coordination modes. An interesting isomerism is observed for the complexes [Zn2(H2L)2Cl4] (2a and 2b) that differ by the arrangement of H2L. Both complexes possess internal cavities capable of incorporating toluene molecules. Upon toluene release, the geometry of 2b changes substantially, while that of 2a changes slightly. Due to the diverse structures, the compounds 13 reveal different photophysical properties. These results are discussed based on previously reported studies and DFT (density functional theory) calculations. View Full-Text
Keywords: 4-amino-2,1,3-benzothiadiazole; phosph(III)azane; cyclophosp(III)azane; fluorescence; coordination compounds; single crystal X-ray diffraction 4-amino-2,1,3-benzothiadiazole; phosph(III)azane; cyclophosp(III)azane; fluorescence; coordination compounds; single crystal X-ray diffraction
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Khisamov, R.; Sukhikh, T.; Bashirov, D.; Ryadun, A.; Konchenko, S. Structural and Photophysical Properties of 2,1,3-Benzothiadiazole-Based Phosph(III)azane and Its Complexes. Molecules 2020, 25, 2428.

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