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Synthesis and photophysical properties of Zn(II) Schiff base complexes possessing strong solvent-dependent solid-state fluorescence
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2018 (English)In: Polyhedron, ISSN 0277-5387, E-ISSN 1873-3719, Vol. 155, p. 202-208Article in journal (Refereed) Published
Abstract [en]

The present article reports on the syntheses, crystal structures and luminescence properties of three solvate forms of a zinc(II) complex containing 4-{(E)-[(2-fluorophenyl)imino]methyl}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one (HL). The reaction of zinc(II)acetate with the HL ligand in ethanol and acetonitrile led to the formation of two solvate analogues [Zn(L)2]·Solv (Solv – ethanol (1) and acetonitrile (2)). The properties of the [Zn(L)2]·Solv complexes were investigated by UV–Vis absorption and fluorescence emission spectroscopy, and the density functional theory calculations. Bader's topological analysis was performed to investigate the electronic peculiarities of Zn(II) polyhedra and non-covalent interactions within crystal packing of studied solvates.

Place, publisher, year, edition, pages
Elsevier Ltd , 2018. Vol. 155, p. 202-208
Keywords [en]
Crystal structures, Density functional theory, Photophysical properties, Schiff base, Zinc(II) complex
National Category
Chemical Sciences
Identifiers
URN: urn:nbn:se:kth:diva-236590DOI: 10.1016/j.poly.2018.08.019ISI: 000449137000025Scopus ID: 2-s2.0-85052641720OAI: oai:DiVA.org:kth-236590DiVA, id: diva2:1265789
Note

Export Date: 22 October 2018; Article; CODEN: PLYHD; Correspondence Address: Gusev, A.N.; N.S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of SciencesRussian Federation; Funding details: № 3874, Minobrnauka, Ministry of Education and Science of the Russian Federation; Funding details: № 16-03-00386, RFBR, Russian Foundation for Basic Research; Funding details: SNIC 2017-12-49, Stiftelsen Olle Engkvist Byggmästare; Funding details: 189-0223, Stiftelsen Olle Engkvist Byggmästare; Funding details: CTS 17:514; Funding details: LO1305; Funding text: Authors would like to acknowledge the financial support from the Russian Foundation for Basic Research (project № 16-03-00386) and Ministry of Education and Science of Russian Federation (project № 3874). G.B. and H.A. acknowledge for support to the Carl Tryggers Foundation (Grant No. CTS 17:514 ) and Olle Engkvist Byggmästare foundation (contract No. 189-0223). The quantum–chemical calculations were performed with computational resources provided by the High Performance Computing Center North (HPC2N) which is a Swedish national center for Scientific and Parallel Computing through the project “Multiphysics Modeling of Molecular Materials” SNIC 2017-12-49. IN and ZT acknowledge financial support going from The Ministry of Education, Youth and Sports of the Czech Republic ( LO1305 ). Appendix A. QC 20181126

Available from: 2018-11-26 Created: 2018-11-26 Last updated: 2018-11-26Bibliographically approved

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