scholarly journals Synthesis, X-ray Structure, Spectroscopic Properties and DFT Studies of a Novel Schiff Base

2014 ◽  
Vol 15 (10) ◽  
pp. 18706-18724 ◽  
Author(s):  
Kew-Yu Chen ◽  
Hsing-Yang Tsai
Keyword(s):  
Schiff Base ◽  
Spectroscopic Properties ◽  
Dft Studies ◽  
X Ray

X-ray and DFT studies of a mono- and binuclear copper(II) ionic compound containing a Schiff base

2012 ◽  
Vol 68 (11) ◽  
pp. m326-m328 ◽  
Author(s):  
Vratislav Langer ◽  
Pavol Mach ◽  
Dalma Gyepesová ◽  
Lucia Andrezálová ◽  
Mária Kohútová
Keyword(s):  
Hydrogen Bonding ◽  
Schiff Base ◽  
Three Dimensional ◽  
Open Shell ◽  
Dft Studies ◽  
Binuclear Copper ◽  
Centrosymmetric Dimer ◽  
X Ray ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral

In the structure oftrans-bis(ethanol-κO)tetrakis(1H-imidazole-κN3)copper(II) bis[μ-N-(2-oxidobenzylidene)-D,L-glutamato]-κ4O1,N,O2′:O2′;κ4O2′:O1,N,O2′-bis[(1H-imidazole-κN3)cuprate(II)], [Cu(C3H4N2)4(C2H6O)2][Cu2(C15H14N3O5)2], both ions are located on centres of inversion. The cation is mononuclear, showing a distorted octahedral coordination, while the anion is a binuclear centrosymmetric dimer with a square-pyramidal copper(II) coordination. An extensive three-dimensional hydrogen-bonding network is formed between the ions. According to B3LYP/6–31G* calculations, the two equivalent components of the anion are in doublet states (spin density located mostly on CuIIions) and are coupled as a triplet, with only marginal preference over an open-shell singlet.

scholarly journals One-Pot Synthesis, X-ray Single Crystal and Molecular Insight of Enaminone-Based β-Morpholino-/N-Methylpiperazinyl-/Pyrrolidinylpropiophenone

Crystals ◽  
2020 ◽  
Vol 10 (4) ◽  
pp. 282
Author(s):  
Assem Barakat ◽  
Saied M. Soliman ◽  
Matti Haukka ◽  
Abdullah Mohammed Al-Majid ◽  
Mohammad Shahidul Islam ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Single Crystal ◽  
Spectroscopic Properties ◽  
Secondary Amines ◽  
Dft Studies ◽  
X Ray Diffraction ◽  
One Pot ◽  
X Ray ◽  
One Pot Synthesis ◽  
Hirshfeld Analysis

One-pot synthesis of three enaminones, (E)-1-(4-chlorophenyl)-3-morpholinoprop-2-en-1-one 1, (E)-1-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)prop-2-en-1-one 2, and (E)-1-(4-chlorophenyl)-3-(pyrrolidin-1-yl)prop-2-en-1-one 3 were achieved. The synthetic protocol via three components reaction of p-chloroacetophenone with DMFDMA (N,N-dimethylformamid-dimethylacetal) and the corresponding secondary amines (morpholine/N-methylpiperazine/pyrrolidine) in dioxane under heating for 2.5–4 h at 102 °C yielded the requisite enaminones. This protocol has the advantage of no separation of intermediate, no need for column purification with quantitative yield for the target compounds. The chemical features of the β-enaminones 1–3 were assigned by NMR. β-Enaminones 1, and 2 were assigned by single crystal X-ray diffraction technique. The intermolecular interactions in the crystal structures were analyzed quantitatively using Hirshfeld analysis. The Cl…H and O…H hydrogen bonds are common in both compounds while the C-H…π and N…H contacts are more significant in 2 than 1. DFT studies were investigated to show the electronic and spectroscopic properties (NMR and UV-Vis) of the studied systems.

Synthesis, spectroscopy, X-ray crystal structure, and DFT studies on a platinum(II) Schiff-base complex

2012 ◽  
Vol 65 (23) ◽  
pp. 4115-4124 ◽  
Author(s):  
Alireza Akbari ◽  
Mehdi Ahmadi ◽  
Reza Takjoo ◽  
Frank W. Heinemann
Keyword(s):  
Crystal Structure ◽  
Schiff Base ◽  
Schiff Base Complex ◽  
Dft Studies ◽  
Base Complex ◽  
X Ray

Synthesis, X-ray structure, DFT studies, and catalytic activity of a vanadium(V) complex containing a tridentate Schiff base

2013 ◽  
Vol 66 (21) ◽  
pp. 3770-3781 ◽  
Author(s):  
Mojtaba Amini ◽  
Ali Arab ◽  
Rouhollah Soleyman ◽  
Arkady Ellern ◽  
L. Keith Woo
Keyword(s):  
Schiff Base ◽  
Catalytic Activity ◽  
Dft Studies ◽  
X Ray ◽  
Tridentate Schiff Base

Merocyanine dyes containing an isoxazolone nucleus: Synthesis, X-ray crystal structures, spectroscopic properties and DFT studies

2012 ◽  
Vol 93 (1-3) ◽  
pp. 1408-1415 ◽  
Author(s):  
Xiang-Han Zhang ◽  
Yong-Hua Zhan ◽  
Dan Chen ◽  
Fu Wang ◽  
Lan-Ying Wang
Keyword(s):  
Crystal Structures ◽  
Spectroscopic Properties ◽  
Dft Studies ◽  
X Ray ◽  
Merocyanine Dyes

scholarly journals Synthesis and spectroscopic properties of a fluorosensor for Zn2+ ions

2014 ◽  
Vol 19 (1) ◽  
pp. 8 ◽  
Author(s):  
Nawal K. Al-Rasbi ◽  
Bushra AlWihibi ◽  
Nada AlNofali
Keyword(s):  
Schiff Base ◽  
Transition Metals ◽  
Schiff Base Ligand ◽  
Spectroscopic Properties ◽  
Significant Enhancement ◽  
Polar Solvents ◽  
X Ray ◽  
X Ray Crystallography

The new Schiff base ligand L: (E)-N'-(pyridin-2-ylmethylene)acetohydrazide, was synthesized, and its reaction with Zn(II) ions form the complex: [ZnL2](ClO4)2, as confirmed by X-ray crystallography. This complex is stable in polar and non-polar solvents as proven by NMR. A significant enhancement in the fluorescence was observed from L upon coordination to Zn(II) ions over other transition metals such as Fe(II), Co(II), Ni(II), Cu(II), Cd(II) and Ag(I). These results suggest that L can be used as a selective flourosensor for the detection of Zn(II) ions. 

Tetranuclear Copper and Mononuclear Nickel Complex of the Schiff Base of (3Z)-3-Hydrazonobutan-2-One Oxime with Different Aromatic Carbonyl Compounds: Synthesis, Single Crystal X-Ray Structure, Catecholase Activity, Phenoxazinone Synthase Activity, Catalytic Study for the Homocoupling of Benzyl Amines

2019 ◽  
Author(s):  
Swaraj Sengupta ◽  
Sahanwaj Khan ◽  
Shyamal K. Chattopadhyay ◽  
Indrani Banerjee ◽  
Tarun K. Panda ◽  
...  
Keyword(s):  
Schiff Base ◽  
Single Crystal ◽  
Copper Complex ◽  
Carbonyl Compounds ◽  
Nickel Complex ◽  
Schiff Base Ligands ◽  
X Ray ◽  
Phenoxazinone Synthase ◽  
Catecholase Activity ◽  
Aromatic Carbonyl Compounds

Synthesis and characterisation of one trinuclear copper complex, ([Cu<sub>3</sub>L<sub>3</sub>O]ClO<sub>4</sub>) (<b>1</b>) and one nickel complex ([Ni(L'H)<sub>2</sub>(dmso)<sub>2</sub>](ClO<sub>4</sub>)<sub>2</sub>) (<b>2</b>) with Schiff base ligands: (3Z)-3-((Z)-(1-(thiophen-2-yl)ethylidene)hydrazono)butan-2-one oxime (LH) and 1-(pyridin-2-yl)ethylidene)hydrazono)butan-2-one oxime (L<sup>'</sup>H). <b>1</b> shows high catecholase activity and has also been tested as a catalyst for the synthesis of benzylimine. <b>2 </b> shows phenoxazinone synthase activity.

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