Premium
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
Author(s) -
Chai LanQin,
Hu Qi,
Zhang KongYan,
Chen LiChuan,
Li YaoXin,
Zhang HongSong
Publication year - 2018
Publication title -
applied organometallic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.53
H-Index - 71
eISSN - 1099-0739
pISSN - 0268-2605
DOI - 10.1002/aoc.4426
Subject(s) - chemistry , supramolecular chemistry , nickel , cobalt , crystallography , ligand (biochemistry) , electron paramagnetic resonance , electrochemistry , hydrogen bond , crystal structure , magnetic susceptibility , homo/lumo , stereochemistry , inorganic chemistry , molecule , organic chemistry , biochemistry , receptor , electrode , physics , nuclear magnetic resonance
Two two‐dimensional supramolecular Nickel(II) and Cobalt(III) complexes, [Ni( L 2 ) 2 ]·2CH 3 OH ( 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.