Synthesis, spectral, thermal and theoretical studies of Cu(II) complexes with 3-[4′-dimethylaminophenyl]-1-(2-pyridyl)prop-2-en-1-one (DMAPP) (original) (raw)
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Inorganica Chimica Acta, 2013
Two copper(II) complexes [Cu(pdc)(im)] (1) and {[Cu(pdc)(2-ap)(H 2 O)]•2H 2 O} (2) [pdc, pyridine-2,6-dicarboxylate; im, imidazole and 2-ap, 2-aminopyridine] have been synthesized and characterized by elemental analysis, IR spectroscopy, X-ray crystallography, and thermal analysis. Complexes 1 and 2 show a square planar and square pyramidal Cu(II) coordination sphere, respectively, and in solid state form hydrogen bonded 3D supramolecular networks. Both the complexes exhibit fluorescence in water-methanol solution at room temperature [λ ex = 261 nm, λ em = 317 and 361 nm, quantum yield = 0.0149 for 1; λ ex = 278 nm, λ em = 351 nm, quantum yield =0.0031 for 2]. The effect of the presence of different aromatic compounds such as m-toluidine, aniline, nitrobenzene, p-cresol, phenol, etc., on the fluorescence of these copper complexes in solution has been inspected. Results indicate that complex 2 behaves as a fluorescence sensor for p-cresol, but loses its fluorescent properties in association with phenol. The optimized geometry from density functional theory (DFT) study shows a good agreement with the X-ray structural data. The electronic and IR spectra of these compounds are compared with results obtained by employing DFT and time-dependent density functional theory (TD-DFT) calculations.
Copper(II) complexes with (2-hydroxybenzyl-2-pyridylmethyl)amine–Hbpa: syntheses, characterization and crystal structures of the ligand and Cu(II)(Hbpa)22·2H2O
Inorganica Chimica Acta, 1999
Copper(II) complexes were synthesized and characterized by means of elemental analysis, IR and visible spectroscopies, EPR and electrochemistry, as well as X-ray structure crystallography. The group consists of discrete mononuclear units with the general formula [Cu(II)(Hbpa) 2 ](A) 2 ·nH 2 O, where Hbpa =(2-hydroxybenzyl-2-pyridylmethyl)amine and A = ClO 4 − , n= 2 (1), CH 3 COO − , n= 3 (2), NO 3 − , n=2 (3) and SO 4 2 − , n =3 (4). The structures of the ligand Hbpa and complex 1 have been determined by X-ray crystallography. Complexes 1-4 have had their UV -Vis spectra measured in both MeCN and DMF. It was observed that the compounds interact with basic solvents, such that molecules coordinate to the metal in axial positions in which phenol oxygen atoms are coordinated in the protonated forms. The m values were all less than 1000 M − 1 cm − 1 . EPR measurements on powdered samples of 1-3 gave g /A values between 105 and 135 cm − 1 , typical for square planar coordination environments. Complex 4·3H 2 O exhibits a behaviour typical for tetrahedral coordination. The electrochemical behaviour for complexes 1 and 2 was studied showing irreversible redox waves for both compounds.
Journal of Molecular Structure, 2018
The reaction of nickel(II), copper(II) and cobalt(II) with 4-hydroxy-3-[(2E)-3-(1H-indol-3-yl)prop-2enoyl]-6-methyl-2H-pyran-2-one (HL) leads to a series of new complexes: Ni(L) 2 (NH 3), Cu(L) 2 (DMF) 2 and Co(L) 2 (H 2 O). The crystal structure of the Cu(L) 2 (DMF) 2 complex have been determined by X-ray diffraction methods. The Cu(II) lying on an inversion centre is coordinated to six oxygen atoms forming an octahedral elongated. Additionally, the electrochemical behavior of the metal complexes were investigated by cyclic voltammetry at a glassy carbon electrode (GC) in CH 3 CN solutions, showing the quasi-reversible redox process ascribed to the reduction of the M II /M I couples. The X-ray single crystal structure data of the complex was matched excellently with the optimized monomer structure of the desired compound; Hirschfeld surface analysis supported the packed crystal lattice 3D network intermolecular forces. HOMO/LUMO energy level and the global reactivity descriptors quantum parameters are also calculated. The electrophilic and nucleophilic potions in the complex surface are theoretically evaluated by molecular electrostatic potential and Mulliken atomic charges analysis.
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2004
CuBr 2 (pMA) 2 ] and [CuBr 2 (mMA) 2 ] complexes (pMA: p-methylaniline, mMA: m-methylaniline) have been prepared and characterized by elemental analyses, thermogravimetric analyses, magnetic moment measurements, and IR, Raman and EPR spectroscopic studies. Coordination effects on the vibrational spectra of the ligands have been investigated. The room temperature EPR spectra of the complexes and their simulated spectra are also discussed in detail. The vibrational and EPR spectral studies suggest that the coordination sphere around Cu(II) consist of a distorted tetragonal structure.
Inorganica Chimica Acta, 2020
The chemical preparation, crystal structure and spectroscopic characterization of two new Cu(II) complexes [Cu(ampymo)4](O2CMe)2, ( 1 ) and [Cu(C5H7N3O)2(H2O)3](CH3COO)2, [Cu(ampymo)2(H2O)3](O2CMe)2, ( 2 ) with the monodentate ligand 2-amino-6-methylpyrimidin-4-(1H)-one, (ampymo), are reported. In ( 1 ), the Cu(II) atom is four-coordinated, in a square planar fashion, by nitrogen atoms of four ampymo ligands. In ( 2 ), it is five-coordinated in a square pyramidal fashion by two pyrimidine nitrogen atoms and three water oxygen atoms. The crystal structure of ( 1 ) is stabilized by N H⋯O hydrogen bonds with pillars of the cationic complexes alternating with channels occupied by the acetate anions. In the atomic arrangement of ( 2 ), the complex cations are located parallel to the (a, b) plane between which the acetate anions intercalate by establishing hydrogen bonds with these cations to form a tridimensional network. The vibrational absorption bands were identified by infrared spect...
Inorganica Chimica Acta, 2017
Three new copper(I) coordination oligomers [Cu 2 (L) 2 (µ-I) 2)(PPh 3) 2 ] 2 (1), [Cu 2 (µ-L) (µ-Br) 2 (PPh 3) 2. CH 2 Cl 2 ] ∞ (2. CH 2 Cl 2) and [Cu 2 (µ-L)(µ-Cl) 2 (PPh 3) 2 ] ∞ (3) have been synthesized by reactions of equimolar CuX (X = I, Br and Cl), PPh 3 and the polydentate azino-pyridyl ligand L. These complexes have been characterized by elemental analyses, IR, UV-Vis and NMR spectroscopy. The crystal structures of the complexes 1 and 2. CH 2 Cl 2 have been determined by single-crystal X-ray analysis and it has been found that complex 1 is a dimer with-{Cu I-(µ-I 2)-Cu I }-rhomboid core whereas complex 2. CH 2 Cl 2 is a 1-D coordination polymer containing bridged Br-1 ion as well as the ligand L. Matching of X-ray powder pattern of 3 with the simulated powder data obtained from the single crystal of 2. CH 2 Cl 2 , and DFT studies reveal that the complex 3 is also a 1-D coordination polymer like complex 2. CH 2 Cl 2. At room temperature in dichloromethane the ligand L is non-emissive whereas the complexes 1, 2 and 3 are photoluminescent. The E 1/2 values of the Cu I-Cu II couple of 1, 2 and 3 are 1.06 V, 0.85 V and 0.81 V (vs. Ag/AgCl in 1 M KCl, scan rate 100 mV s-1) respectively. DFT and Hirshfeld surfaces computational studies have also been performed for 1, 2 and 3.
Zeitschrift für anorganische und allgemeine Chemie, 2010
Two new copper(II) complexes of saccharinate (sac) with bis(2-pyridylmethyl)amine (bpma) and N,N'-bis[1-(pyridin-2-yl)ethylidene]ethane-1,2-diamine (bapen), [Cu(bpma)(sac) 2 ]•H 2 O (1) and [Cu(bapen)(sac) 2 ] (2), were synthesized and characterized by elemental analysis, TG-DTA, X-ray diffraction, and UV/Vis and IR spectroscopy, respectively. In 1, the copper(II) ion is coordinated by two N-bonded sac ligands, and three nitrogen atoms of bpma, in a distorted squarepyramidal coordination arrangement, whereas the arrangement around