期刊
JOURNAL OF LUMINESCENCE
卷 203, 期 -, 页码 234-246出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.jlumin.2018.06.058
关键词
Spectroscopic studies; DFT calculations; Zinc(II) complexes; Quinazoline; 1,10-phenanthroline; Crystal structures
类别
资金
- Fundamental Research Funds of the Gansu Province Universities [214152]
- Natural Science Foundation of Gansu Province in China [1508RJZA082]
- Foundation of A Hundred Youth Talents Training Program of Lanzhou Jiaotong University [152022]
Two 2-D and 3-D supramolecular zinc(II) complexes, [Zn(L-1)(phen)(NO3)(2)] (1) and [Zn(L-3)(phen)(NO3)(2)] (2), have been synthesized via complexation of salt nitrate hexahydrate with quinazoline-type ligands and 1,10-phenanthroline, where HL1 = 4 -methyl-2-(4-nitrophenyl) 1,2-dihydroquinazoline 3-oxide, HL3 = 2-(4-cyanophenyl)-4-methyl-1,2-dihydroquinazoline 3-oxide (H is the deprotonatable hydrogen). The plausible reaction mechanism for the formation of 4-methyl-2-(4-nitrophenyl)quinazoline 3-oxide (HL2) was proposed. These compounds were synthesized and characterized by IR, UV-Vis, and fluorescence spectroscopy, as well as by elemental analysis, respectively. The spectroscopic data of both complexes were compared with the ligands HL1 and HL3. The single crystal X-ray structures of (HL2) and both complexes were determined. X-ray single crystal analyses reveal that both complexes have penta-coordinated geometry and form an infinite 2-D and 3-D supramolecular frameworks through classical H-bonding and pi center dot center dot center dot pi stacking interactions. The normalized fluorescent spectra show clearly that complexes 1 and 2 have favourable fluorescent emissions in different solvents. In addition, the calculated HOMO and LUMO energies show the character of complexes 1 and 2. The electronic transitions and spectral features of complexes 1 and 2 were discussed by TD-DFT calculations.
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