Crystal Structures, Optical Properties, and TD-DFT Study of a Zinc(II) Schiff-Base Complex Derived from Salicylaldehyde and N1-(3-aminopropyl)Propane-1,3-Diamine

被引：20

作者：

AlDamen, Murad A. ^{[1
]}

Charef, Noureddine ^{[2
]}

Juwhari, Hassan K. ^{[3
]}

Sweidan, Kamal ^{[1
]}

Mubarak, Mohammad S. ^{[1
]}

Peters, Dennis G. ^{[4
]}

机构：

[1] Univ Jordan, Dept Chem, Amman 11942, Jordan

[2] Univ Setif 1, Lab Appl Biochem, Setif, Algeria

[3] Univ Jordan, Dept Phys, Amman 11942, Jordan

[4] Indiana Univ, Dept Chem, Bloomington, IN 47405 USA

来源：

JOURNAL OF CHEMICAL CRYSTALLOGRAPHY | 2016年 / 46卷 / 10-12期

关键词：

Crystal structure; Schiff base; TD-DFT; PL fluorescence; Non-merohedral twin; LIGAND CHARGE-TRANSFER; METAL-COMPLEXES; EXCITED-STATES; ZN(II); ZN; POLYMERS;

D O I：

10.1007/s10870-016-0670-y

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

A zinc(II) complex of the pentadentate Schiff base ligand 2,2'(((azanediylbis(propane-3,1-diyl))bis(azanylylidene))bis(methanylylidene))diphenol was synthesized by reaction of the ligand with Zn(OAc)(2). Reaction of salicylaldehyde with N-1-(3-aminopropyl)propane-1,3-diamine [HN(C3H6NH2)(2)] in absolute ethanol was used to prepare the ligand. Non-merohedrally twinned crystals of the complex were characterized by single-crystal XRD and found to be in the monoclinic system, space group P2(1)/n, with the following lattice parameters: a = 14.6594(8) angstrom, b = 11.6908(7) angstrom, c = 23.2789(14) angstrom, and beta = 105.520(3)degrees. Luminescent characteristics of this complex were investigated in the solid state. Computational study of the electronic properties of this complex with the aid of time-dependent density functional theory (TD-DFT) showed good agreement with experimental data and hence consolidated the assignment of the state as ligand centered charge transfer. This complex exhibits a strong fluorescence with a broad blue emission maximum centered at 442 nm.

引用

页码：411 / 420

页数：10

共 51 条

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