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- Title
Structural and Photophysical Properties of 2,1,3-Benzothiadiazole-Based Phosph(III)azane and Its Complexes.
- Authors
Khisamov, Radmir; Sukhikh, Taisiya; Bashirov, Denis; Ryadun, Alexey; Konchenko, Sergey
- Abstract
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 1–3 reveal different photophysical properties. These results are discussed based on previously reported studies and DFT (density functional theory) calculations.
- Subjects
COORDINATION compounds; ZINC compounds synthesis; SINGLE crystals; DENSITY functional theory; ISOMERISM; X-ray diffraction
- Publication
Molecules, 2020, Vol 25, Issue 10, p2428
- ISSN
1420-3049
- Publication type
Article
- DOI
10.3390/molecules25102428