scholarly journals A Ternary Nickel(II) Schiff Base Complex Containing Di-anionic and Neutral Forms of a Dithiocarbazate Schiff Base

Molbank ◽  
10.3390/m1057 ◽  
2019 ◽  
Vol 2019 (2) ◽  
pp. M1057 ◽  
Author(s):  
Yusof ◽  
Nasri ◽  
Ravoof ◽  
Tiekink
Keyword(s):  
Hydrogen Bond ◽  
Schiff Base ◽  
Three Dimensional ◽  
Schiff Base Complex ◽  
Planar Geometry ◽  
Neutral Form ◽  
X Ray ◽  
Niii Complex ◽  
Square Planar ◽  
Supramolecular Chains

The title NiII complex, Ni(L)(LH2) (1), where LH2 is S-2-methybenzyl-β-N-(2-hydroxy-3-methoxybenzylmethylene) dithiocarbazate, was isolated from the reaction of Ni(acetate)2·4H2O and two molar equivalents of LH2. The complex was characterized by elemental analysis, spectroscopy (IR and UV) as well as by a single-crystal X-ray structure determination. The nickel(II) center is coordinated within a cis-NOS2 donor set that defines a square planar geometry. Three donor atoms, i.e., N, O, and S, are provided by a doubly deprotonated S-2-methybenzyl-β-N-(2-hydroxy-3-methoxybenzylmethylene) dithiocarbazate ligand while the fourth donor, i.e., a thione-S, comes from the neutral form of the dithiocarbazate ligand. In the LH2 ligand, an intramolecular hydroxy-O-H…N(imine) hydrogen bond is found. There is also an intra-ligand, charge assisted amine-N-H…O(phenoxide) hydrogen bond. A notable feature of the molecular packing is the formation of supramolecular chains sustained by π…π stacking interactions whereby the interacting rings are the five- and six-membered chelate and methoxybenzene rings. The chains are connected into a three-dimensional architecture by methyl-C-H…O(methoxy), methoxy-C-H…S(ester), and tolyl-C-H…π(tolyl) interactions.

Two new POM-based compounds modified by lanthanide–Schiff base complexes with interesting NLO properties

2018 ◽  
Vol 74 (11) ◽  
pp. 1370-1377 ◽  
Author(s):  
Xi-Ming Luo ◽  
Chen-Hui Cui ◽  
Jia-Peng Cao ◽  
Qing-Fang Lin ◽  
Yan Xu
Keyword(s):  
Schiff Base ◽  
Nonlinear Optics ◽  
Three Dimensional ◽  
Schiff Base Complex ◽  
Schiff Base Complexes ◽  
Photon Absorption ◽  
X Ray Diffraction ◽  
Hydrothermal Conditions ◽  
X Ray ◽  
Two Photon

Two POM-based lanthanide derivatives, namely {triaqua[2,6-diacetylpyridine bis(semicarbazone)-κ5 O,N,N′,N′′,O′]terbium(III)}-μ-oxido-[tricosa-μ2-oxido-dodecaoxido-μ12-phosphato-dodecamolybdenum(VI)] pentahydrate (1), [Tb(C11H15N7O2)(H2O)3][PMo12O40]·5H2O, and the dysprosium(III) analogue (2), have been isolated successfully by the reaction of Keggin–POM [PMo12O40]3− (abbreviated as PMo12 ), the Ln3+ ion and the Schiff base 2,6-diacetylpyridine bis(semicarbazone) (DAPSC) ligand under hydrothermal conditions. [Ln(DAPSC)(H2O)3][PMo12O40]·5H2O is a PMo12 -supported cluster featuring a lanthanide–Schiff base complex [denoted Ln– L (Schiff base)]. Single-crystal X-ray diffraction analysis reveals that the LnIII ion is in a distorted tricapped trigonal prismatic arrangement, coordinated by six O atoms and three N atoms. Two O atoms and three N atoms are provided by one DAPSC ligand, while the additional O atoms originate from a PMo12 cluster and three water molecules. Hydrogen-bonding interactions between adjacent clusters form an interesting three-dimensional supramolecular structure. The identities of 1 and 2 were characterized by IR spectroscopy, thermogravimetric analysis and powder X-ray diffraction. Interestingly, both compounds possess excellent two-photon absorption (TPA) responses to the third-order nonlinear optics (NLO) (2264 GM for 1 and 941 GM for 2), suggesting that they have potential applications in the field of nonlinear optics (NLO). To our knowledge, 1 and 2 are the first POM-based Ln– L (Schiff base) complexes showing excellent two-photon responses. Meanwhile, the electrochemical properties of both compounds were studied in detail.

Trigonal dodecahedral sodium coordination in a trinuclear copper(II)-sodium complex incorporating a salen-type compartmental Schiff base

2017 ◽  
Vol 72 (2) ◽  
pp. 133-140 ◽  
Author(s):  
Madhusudan Nandy ◽  
Debnath Saha ◽  
Corrado Rizzoli ◽  
Shyamapada Shit
Keyword(s):  
Schiff Base ◽  
Sodium Ion ◽  
Planar Geometry ◽  
X Ray Diffraction ◽  
X Ray ◽  
Square Planar ◽  
Physicochemical Studies ◽  
Ft Ir ◽  
Good Agreement ◽  
Ft Ir Spectroscopy

AbstractA new trinuclear heterometallic complex, [(CuL)Na(CuL)]·ClO4 (1), has been prepared using a Schiff base, H2L (where H2L=N,N′-(1,2-phenylene)-bis(3-methoxysalicylideneimine) and characterized by elemental analysis, Fourier transform infra-red (FT-IR) spectroscopy, UV/Vis, magnetic, electrochemical, and single crystal X-ray diffraction methods. The structure analysis reveals that two metallo-ligand [(CuL)] units are connected to each other by a sodium ion resulting in the cationic unit [(CuL)Na(CuL)]+. Both the copper(II) ions display an almost square planar geometry while the sodium ion adopts a trigonal-dodecahedral coordination geometry. The spectroscopic and other physicochemical studies are in good agreement with the crystal structure of the complex.

Chemistry of transition-metal complexes containing functionalized phosphines: synthesis and structural analysis of rhodium(I) complexes containing allyl and cyanoalkylphosphines

2020 ◽  
Vol 76 (9) ◽  
pp. 932-946
Author(s):  
Reinaldo Atencio ◽  
Gustavo Chacón ◽  
Lisbeth Mendoza ◽  
Teresa González ◽  
Julia Bruno-Colmenarez ◽  
...  
Keyword(s):  
Density Functional ◽  
Three Dimensional ◽  
Coupling Constants ◽  
Molecular Surface ◽  
Planar Geometry ◽  
X Ray Diffraction ◽  
Functional Theory ◽  
X Ray ◽  
Conformational Preferences ◽  
Square Planar

A series of related acetylacetonate–carbonyl–rhodium compounds substituted by functionalized phosphines has been prepared in good to excellent yields by the reaction of [Rh(acac)(CO)2] (acac is acetylacetonate) with the corresponding allyl-, cyanomethyl- or cyanoethyl-substituted phosphines. All compounds were fully characterized by 31P, 1H, 13C NMR and IR spectroscopy. The X-ray structures of (acetylacetonato-κ2 O,O′)(tert-butylphosphanedicarbonitrile-κP)carbonylrhodium(I), [Rh(C5H7O2)(CO)(C8H13N2)] or [Rh(acac)(CO)(tBuP(CH2CN)2}] (2b), (acetylacetonato-κ2 O,O′)carbonyl[3-(diphenylphosphanyl)propanenitrile-κP]rhodium(I), [Rh(C5H7O2)(C15H14N)(CO)] or [Rh(acac)(CO){Ph2P(CH2CH2CN)}] (2h), and (acetylacetonato-κ2 O,O′)carbonyl[3-(di-tert-butylphosphanyl)propanenitrile-κP]rhodium(I), [Rh(C5H7O2)(C11H22N)(CO)] or [Rh(acac)(CO){tBu2P(CH2CH2CN)}] (2i), showed a square-planar geometry around the Rh atom with a significant trans influence over the acetylacetonate moiety, evidenced by long Rh—O bond lengths as expected for poor π-acceptor phosphines. The Rh—P distances displayed an inverse linear dependence with the coupling constants J P-Rh and the IR ν(C[triple-bond]O) bands, which accounts for the Rh—P electronic bonding feature (poor π-acceptors) of these complexes. A combined study from density functional theory (DFT) calculations and an evaluation of the intramolecular H...Rh contacts from X-ray diffraction data allowed a comparison of the conformational preferences of these complexes in the solid state versus the isolated compounds in the gas phase. For 2b, 2h and 2i, an energy-framework study evidenced that the crystal structures are mainly governed by dispersive energy. In fact, strong pairwise molecular dispersive interactions are responsible for the columnar arrangement observed in these complexes. A Hirshfeld surface analysis employing three-dimensional molecular surface contours and two-dimensional fingerprint plots indicated that the structures are stabilized by H...H, C...H, H...O, H...N and H...Rh intermolecular interactions.

scholarly journals Mononuclear and Tetranuclear Copper(II) Complexes Bearing Amino Acid Schiff Base Ligands: Structural Characterization and Catalytic Applications

Molecules ◽  
2021 ◽  
Vol 26 (23) ◽  
pp. 7301
Author(s):  
Karla-Alejandra López-Gastélum ◽  
Enrique F. Velázquez-Contreras ◽  
Juventino J. García ◽  
Marcos Flores-Alamo ◽  
Gerardo Aguirre ◽  
...  
Keyword(s):  
Schiff Base ◽  
Tridentate Ligand ◽  
Planar Geometry ◽  
X Ray Diffraction ◽  
Schiff Base Ligands ◽  
X Ray ◽  
Square Planar ◽  
Catalytic Applications ◽  
Amino Acid Schiff Base ◽  
Very High

Two new glycine-Schiff base copper(II) complexes were synthesized. Single crystal X-ray diffraction (SCXRD) allowed us to establish the structure of both complexes in the solid state. The glycine-Schiff base copper(II) complex derived from 2′-hydroxy-5′-nitroacetophenone showed a mononuclear hydrated structure, in which the Schiff base acted as a tridentate ligand, and the glycine-Schiff base copper(II) complex derived from 2′-hydroxy-5′-methylacetophenone showed a less common tetranuclear anhydrous metallocyclic structure, in which the Schiff base acted as a tetradentate ligand. In both compounds, copper(II) had a tetracoordinated square planar geometry. The results of vibrational, electronic, and paramagnetic spectroscopies, as well as thermal analysis, were consistent with the crystal structures. Both complexes were evaluated as catalysts in the olefin cyclopropanation by carbene transference, and both led to very high diastereoselectivity (greater than 98%).

scholarly journals New 5-bromo-2-hydroxybenzaldehyde S-ethylisothiosemicarbazone and its mixed-ligand Cu(II) complex with imidazole: synthesis, characterization and DFT calculation

2013 ◽  
Vol 11 (11) ◽  
pp. 1844-1851 ◽  
Author(s):  
Reza Takjoo ◽  
Alireza Akbari ◽  
Mehdi Ahmadi ◽  
Hadi Rudbari ◽  
Giuseppe Bruno
Keyword(s):  
Schiff Base ◽  
Analytical Data ◽  
Geometry Optimization ◽  
Schiff Base Complex ◽  
Mixed Ligand ◽  
Planar Geometry ◽  
Base Complex ◽  
Physico Chemical ◽  
Square Planar ◽  
Ft Ir

AbstractA new Schiff base ligand of 5-bromo-2-hydroxybenzaldehyde S-ethyl-isothiosemicarbazone (H2L) was synthesized and its mixed-ligand Cu(II) complex was also prepared by reaction of Cu(NO3)2·3H2O with H2L and imidazole. Their structures were fully characterized by elemental analysis, FT-IR, molar conductivity and UV-Vis methods. The analytical data suggest that the metal, H2L and imidazole ratios in the Schiff base complex are 1:1:1. Single crystal diffraction was also used to better understand the molecular structure of the Cu(II) complex. The results of physico-chemical analyses of the Schiff base complex reveal the coordination geometry around the central atom is square planar. The H2L ligand (NNO donor) is coordinated to the metal center as a tridentate bionegatively agent. Another position of the square planar geometry is occupied by the imidazole ligand. Furthermore, computational studies of the new complex were performed by carrying out DFT calculations. Geometry optimization and natural band analysis of the complex is discussed in further detail.

{1-[2-(Methylamino)ethyliminomethyl]naphthalen-2-olato}thiocyanatocopper(II)

2006 ◽  
Vol 62 (7) ◽  
pp. m1533-m1534 ◽  
Author(s):  
Han-Na Hou
Keyword(s):  
Schiff Base ◽  
Schiff Base Ligand ◽  
Title Compound ◽  
Planar Geometry ◽  
Asymmetric Unit ◽  
Thiocyanate Anion ◽  
Square Planar

The title compound, [Cu(C14H15N2O)(NCS)], is a mononuclear copper(II) complex, with two molecules in the asymmetric unit. The CuII ion is coordinated by one O and two N atoms of a Schiff base ligand, and by one N atom of a thiocyanate anion, forming a square-planar geometry.

scholarly journals Crystal structures of [Mn(bdc)(Hspar)2(H2O)0.25]·2H2O containing MnO6+1capped trigonal prisms and [Cu(Hspar)2](bdc)·2H2O containing CuO4squares (Hspar = sparfloxacin and bdc = benzene-1,4-dicarboxylate)

2016 ◽  
Vol 72 (1) ◽  
pp. 96-101
Author(s):  
Zhe An ◽  
Jing Gao ◽  
William T. A. Harrison
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Crystal Structures ◽  
Metal Ion ◽  
Three Dimensional ◽  
Trigonal Prism ◽  
Planar Geometry ◽  
Cationic Complex ◽  
Counter Ion ◽  
Square Planar

The syntheses and crystal structures of 0.25-aqua(benzene-1,4-dicarboxylato-κ2O,O′)bis(sparfloxacin-κ2O,O′)manganese(II) dihydrate, [Mn(C8H4O4)(C19H22F2N4O3)2(H2O)0.25]·2H2O or [Mn(bdc)(Hspar)2(H2O)0.25]·2H2O, (I), and bis(sparfloxacin-κ2O,O′)copper(II) benzene-1,4-dicarboxylate dihydrate, [Cu(C19H22F2N4O3)2](C8H4O4)·2H2O or [Cu(Hspar)2](bdc)·2H2O, (II), are reported (Hspar = sparfloxacin and bdc = benzene-1,4-dicarboxylate). The Mn2+ion in (I) is coordinated by twoO,O′-bidentate Hspar neutral molecules (which exist as zwitterions) and anO,O′-bidentate bdc dianion to generate a distorted MnO6trigonal prism. A very long bond [2.580 (12) Å] from the Mn2+ion to a 0.25-occupied water molecule projects through a square face of the prism. In (II), the Cu2+ion lies on a crystallographic inversion centre and a CuO4square-planar geometry arises from its coordination by twoO,O′-bidentate Hspar molecules. The bdc dianion acts as a counter-ion to the cationic complex and does not bond to the metal ion. The Hspar ligands in both (I) and (II) feature intramolecular N—H...O hydrogen bonds, which closeS(6) rings. In the crystals of both (I) and (II), the components are linked by N—H...O, O—H...O and C—H...O hydrogen bonds, generating three-dimensional networks.

scholarly journals Unsymmetrical Schiff Base Functionalized as Monobasic Tridentate Ligand on Complexation with Some Transition Metal Ions

2012 ◽  
Vol 9 (2) ◽  
pp. 532-544
Author(s):  
Bibhesh K. Singh ◽  
Narendar Bhojak ◽  
Anant Prakash
Keyword(s):  
Schiff Base ◽  
Transition Metal Ions ◽  
Tridentate Ligand ◽  
Planar Geometry ◽  
Physico Chemical ◽  
Square Planar ◽  
Unsymmetrical Schiff Base ◽  
Mm2 Calculations ◽  
Microbial Potential

Cu(II), Co(II), Ni(II) and Mn(II) complexes of Schiff base derived from 2-aminophenol and pyrrole-2- carbaldehyde have been prepared. The complexes are formed by coordination of N and O atoms of the ligand. Their structures were characterized by physico-chemical and spectroscopic methods. Molecular structure of the complexes has been optimized by MM2 calculations and suggests a tetrahedral/ square planar geometry. The bio-efficacy of the ligand and their complexes has been examined against the growth of bacteriain vitroto evaluate their anti-microbial potential.

Sign in / Sign up

Export Citation Format

Share Document