Synthesis, Characterization and DFT-Based Investigation of a Novel Trinuclear Singly-Chloro-Bridged Copper(II)-1-Vinylimidazole Complex

Abstract

A novel trinuclear copper(II) complex [Cu 3 (μ-Cl) 2 Cl 4 (1-Vim) 6 ] with monodentate 1-vinylimidazole (1-Vim) and chloro ligands has been prepared and experimentally characterized by elemental analysis, thermogravimetry (TGA, DTG, DTA), X-ray single crystal diffractometry, TOF-MS and FT-IR spectroscopies. The electronic and structural properties of the complex were further investigated by DFT/TD-DFT methods. Density functional hybrid method (B3LYP) was applied throughout the calculations. The calculated UV-Vis results based on TD-DFT approach were simulated and compared with experimental spectrum. Based on the data obtained, DFT calculations have been found in reasonable accordance with experimental data.

Ion Imprinted Polymers Prepared with a Novel Cd(II) Methacrylate Monomer Complex with 1-Vinylimidazole for Selective Removal of Cd(II) Ions

“…Further, N1-Cd1-N1 i bond angle is 169.77(14)°, O1-Cd1-O1 i and O2-Cd1-O2 i bond angles are 174.81(12)° and 81.30(12)°, respectively (Table S1., see Supplementary Data). The values of the complex are normal and comparable with the complexes in the literature [38][39][40]. (Fig.…”

“…Further, N1-Cd1-N1 i bond angle is 169.77( 14)°, O1-Cd1-O1 i and O2-Cd1-O2 i bond angles are 174.81(12)° and 81.30(12)°, respectively (Table S1., see Supplementary Data). The values of the complex are normal and comparable with the complexes in the literature [38][39][40]. stretching bands of the methacrylic acid were observed at lower frequencies as 1527 and 1416 cm -1 for the complex indicating that the methacrylic acid coordination with the Cd(II) ion via the oxygen atoms of the carboxylate group.…”

Synthesis of Hetero- and Homo-multinuclear Complexes with a Tetracyanonickelate Anion: Structural Characterization [Cu(bcen)Ni(CN)4]2

“…A general approach is to use bridging ligands such as halides, pseudo-halides, oxalate, sulfate, etc. [6][7][8][9][10] Self-assembly is the most efficient approach for the construction of such molecular systems. [11][12][13] Another popular and successful approach for the preparation of multinuclear complexes with unusual and interesting properties is to employ cyano complexes (metalloligand) such as Ag(CN) 2 -, Ni(CN) 4 2-, Cr(CN) 6 3-, Pd(CN) 4 2-, Pt(CN) 4 2-, etc.…”

Cadmium(II) Chloride Complex Containing 1-Vinylimidazole Ligand: Structural, Spectroscopic and Thermal Properties

“…The peaks at 1647 cm -1 and 1498 cm -1 in the complex belong to the ν(C=C) and ν(C=N) stretching vibrations of vim ligand. The presence of bands in this range indicates that vim coordinated to metal (Yolcu et al, 2016;Yilmaz et al, 2018).…”

“…Vim is a unidentate simple heterocyclic ligand and forms complexes with metal ions through its tertiary nitrogen atom (Vijesh et al, 2013). Although there are numerous transition metal complexes with imidazole and its derivatives in the literature (Jian et al, 2002;Wu et al, 2013;Taş et al, 2014;Di Santo et al, 2017), the number of transition metal complexes with vim ligand have been limited (Baran and Linert, 1999;Pang et al, 2007;Yolcu et al, 2016;. In the early studies, cadmium complexes with vim ligand were described in literature Yilmaz et al, 2018 .…”