X‐ray structures,spectroscopic, electrochemical,thermal, antibacterial,and DFT studies of two nickel(II) and cobalt(III) complexes constructed from a new quinazoline‐type ligand |
| |
| Authors: | Lan‐Qin Chai Qi Hu Kong‐Yan Zhang Li‐Chuan Chen Yao‐Xin Li Hong‐Song Zhang |
| |
| Affiliation: | 1. School of Chemical and Biological Engineering, Lanzhou Jiaotong University, Lanzhou, China;2. State Key Laboratory of Applied Organic Chemistry (SKLAOC), College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou, Gansu, China;3. Lanzhou University Second Hospital, Lanzhou, Gansu, China |
| |
| Abstract: | Two two‐dimensional supramolecular Nickel(II) and Cobalt(III) complexes, Ni( L 2 )2]·2CH3OH ( 1 ) and 2Co( L 2 )2] ( 2 ) ( HL 2 = 1‐(2‐{(E)‐3‐bromo‐5‐chloro‐2‐hydroxybenzylidene]amino}phenyl)ethanone oxime), were synthesized via complexation of salts acetate with HL 1 (2‐(3‐bromo‐5‐chloro‐2‐hydroxyphenyl)‐4‐methyl‐1,2‐dihydroquinazoline 3‐oxide, H is the deprotonatable hydrogen). During the reaction, the C–N bond in HL 1 is converted into the C=N–OH group in HL 2 . The spectroscopic data of both complexes were compared with the ligand HL 1 . HL 1 and both complexes were determined by single‐crystal X‐ray crystallography. The differently geometric features of the obtained complexes 1 and 2 are observed. In the crystal structure, 1 and 2 form an infinite 1‐D chain‐like and 2‐D supramolecular frameworks. EPR spectroscopy of 2 was investigated. Moreover, electrochemical properties and antimicrobial activities of both complexes were also studied. In addition, the calculated HOMO and LUMO energies show the character of HL 1 , complexes 1 and 2 . The electronic transitions and spectral features of HL 1 and both complexes were discussed by TD‐DFT calculations. |
| |
| Keywords: | antimicrobial activities crystal structures cyclic voltammetry DFT calculations metal complexes spectroscopic studies |
|
|
