A RATIONAL SYNTHESIS OF A NOVEL IMIDAZO[4,5-f][1,10] PHENANTHROLINE TEMPLATED SCHIFF BASE: CHARACTERIZATION, PHOTOLUMINESCENCE AND DFT/TD-DFT STUDY

被引：4
|
作者：
Karslioglu, S. [1 ]
Demir, S. [2 ]
Yilmaz, H. [3 ]
Gorduk, S. [4 ]
机构：
[1] Karadeniz Tech Univ, Dept Chem, Fac Sci, TR-61080 Trabzon, Turkey
[2] Giresun Univ, Dept Ind Engn, Fac Engn, TR-28200 Giresun, Turkey
[3] Ondokuz Mayis Univ, Fac Arts & Sci, Dept Chem, TR-55200 Samsun, Turkey
[4] Yildiz Tech Univ, Fac Arts & Sci, Dept Chem, TR-34210 Istanbul, Turkey
来源：
BULLETIN OF THE CHEMICAL SOCIETY OF ETHIOPIA | 2017年 / 31卷 / 01期
关键词：
Phenanthroline; TD-DFT; Photoluminescence; Stokes shift; 1,10-phenanthroline-5,6-dione; Imidazo[4,5-f][1,10] phenanthroline; DENSITY-FUNCTIONAL THEORY; PI-CONJUGATED SYSTEMS; DNA-BINDING; RUTHENIUM(II) COMPLEXES; DERIVATIVES; LIGANDS; 1,10-PHENANTHROLINE; METALLOMESOGENS; COMPOUND; DESIGN;
D O I：
10.4314/bcse.v31i1.12
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
A new imidazo[4,5-f][1,10] phenanthroline (imp) derivative imidazo-N-5, N-6-bis((4-(1Himidazo[ 4,5-f][1,10] phenanthroline-2-yl) phenyl) methylene)-1,10-phenanthroline-5,6-diamine (impap) was synthesized in five steps starting from bare phenanthroline (phen) precursors. The novel compound was fully characterized by H-1-NMR, IR, elemental analysis and electrospray ionization mass spectroscopy (ESI-MS) techniques. Solid state emission spectrum of impap showed two distinct strong emission maxima with large Stokes shifts. The ground state gas phase geometry of impap was predicted by DFT calculations. Excited state properties of the molecule were examined through TD-DFT calculations conducted at the optimized geometry. Responsible transitions for the strong fluorescence of impap were assigned to single component charge transfer transitions with large oscillator strengths based on the ground state calculated molecular orbital contributions.
引用
收藏
页码：137 / 147
页数：11
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