Bimetallomesogens: Synthesis and Mesomorphic Properties of Coppercomplexes of 3,3'-(2-hydroxypropane-1,3-diyl)bis(azan-1- yl-1-ylidene)bis(2-(4-alkoxyphenyl)prop-1-en-1-ol)

2010 ◽  
Vol 428-429 ◽  
pp. 140-143
Author(s):  
Chung Jung Chen ◽  
Chung K. Lai
Keyword(s):  
Copper Complexes ◽  
Crystallographic Analysis ◽  
Planar Geometry ◽  
X Ray Diffraction ◽  
Scanning Calorimetry ◽  
X Ray ◽  
Square Planar ◽  
New Type ◽  
Optical Textures ◽  
Mesomorphic Properties

A new type of 3,3'-(2-hydroxypropane-1,3-diyl) bis(azan-1-yl-1-ylidene)bis(2-(4-alkoxy phenyl)prop-1-en-1-ol) and their copper complexes were prepared and mesomorphic properties characterized. The mesomorphic properties of these copper complexes were studied by differential scanning calorimetry (DSC), polarized optical microscopy (POM) and powder X-ray diffraction. X-ray structural crystallographic analysis showed that these bimetallic compounds have two copper centers coordinated with central square planar geometry. These molecules all have total two 1a or five alkoxy sidechains 1b appended around the central core. The mesomorphic behavior exhibited was found to be dependent on the sidechain density. All compounds in 1a exhibited smectic mesophases, however, compounds in 1b exhibited hexagonal columnar phases (Colh), which were characterized by optical textures and confirmed by powder x-ray diffraction.

scholarly journals Unprecedented Dinuclear CuII N,O-Donor Complex: Synthesis, Structural Characterization, Fluorescence Property, and Hirshfeld Analysis

Crystals ◽  
2019 ◽  
Vol 9 (12) ◽  
pp. 607 ◽  
Author(s):  
Yin-Xia Sun ◽  
Ying-Qi Pan ◽  
Xin Xu ◽  
Yang Zhang
Keyword(s):  
Crystallographic Analysis ◽  
Hirshfeld Surface ◽  
Planar Geometry ◽  
Supramolecular Network ◽  
X Ray Diffraction ◽  
Tetragonal Pyramid ◽  
X Ray ◽  
Square Planar ◽  
Elemental Analyses ◽  
Hirshfeld Analysis

An unprecedented dinuclear CuII complex, [Cu2(L2)2], derived from a salamo-like chelating ligand H2L2, was produced by the cleavage of a newly synthesized, half-salamo-like ligand HL1 (2-[O-(1-ethyloxyamide)]oxime-3,5-dichloro-phenol). This was synthesized and characterized by elemental analyses, IR, UV–Vis and fluorescent spectra, single crystal X-ray diffraction analysis, and Hirshfeld surface analysis. X-ray crystallographic analysis indicated that the two CuII (Cu1 and Cu2) ions bore different (N2O3 and N2O2) coordination environments, the penta-coordinated Cu1 ion possessed a slightly twisted tetragonal pyramid geometry with the τ value τ = 0.004, and the tetra-coordinated Cu2 ion showed a slightly twisted square planar geometry. Interestingly, one oxime oxygen atom participated in the coordination reported previously. Moreover, an infinite two-dimensional layered supramolecular network was formed. Compared with HL1, the CuII complex possessed the characteristic of fluorescence quenching.

scholarly journals Synthesis and mesomorphic properties of calamitic malonates and cyanoacetates tethered to 4-cyanobiphenyls

2012 ◽  
Vol 8 ◽  
pp. 371-378 ◽  
Author(s):  
Katharina C Kress ◽  
Martin Kaller ◽  
Kirill V Axenov ◽  
Stefan Tussetschläger ◽  
Sabine Laschat
Keyword(s):  
Differential Scanning Calorimetry ◽  
Ambient Temperature ◽  
Liquid Crystalline ◽  
X Ray Diffraction ◽  
Cyanoacetic Acid ◽  
Scanning Calorimetry ◽  
Isotropic Liquid ◽  
X Ray ◽  
Nematic Phases ◽  
Mesomorphic Properties

4-Cyano-1,1'-biphenyl derivatives bearing ω-hydroxyalkyl substituents were reacted with methyl 3-chloro-3-oxopropionate or cyanoacetic acid, giving liquid-crystalline linear malonates and cyanoacetates. These compounds formed monotropic nematic phases at 62 °C down to ambient temperature upon cooling from the isotropic liquid. The mesomorphic properties were investigated by differential scanning calorimetry, polarizing optical microscopy and X-ray diffraction (WAXS).

scholarly journals Influence of spacer chain lengths and polar terminal groups on the mesomorphic properties of tethered 5-phenylpyrimidines

2009 ◽  
Vol 5 ◽  
Author(s):  
Gundula F Starkulla ◽  
Elisabeth Kapatsina ◽  
Angelika Baro ◽  
Frank Giesselmann ◽  
Stefan Tussetschläger ◽  
...  
Keyword(s):  
Terminal Group ◽  
X Ray Diffraction ◽  
Scanning Calorimetry ◽  
Maximum Phase ◽  
X Ray ◽  
Smectic A ◽  
Polar Groups ◽  
Chain Lengths ◽  
Mesomorphic Properties ◽  
Phase Width

Based on 5-(4-hydroxyphenyl)-2-octylpyrimidine 8, 5-phenylpyrimidine derivatives 3–7, 9 with different spacer chain lengths (C2 up to C6) and different terminal polar groups (Br, Cl, N3, OH, CN) were synthesized by etherification and nucleophilic substitution. The mesomorphic behaviour of these compounds was investigated by differential scanning calorimetry (DSC), polarizing optical microscopy (POM) and X-ray diffraction (WAXS and SAXS) and revealed smectic A mesophases for bromides, chlorides and azides 3, 4 and 6. For these compounds a maximum phase width was observed for the C5 spacer regardless of the terminal group, whereas the hydroxy- and cyano-substituted derivatives 5 and 7, respectively, were non mesomorphic and showed only melting transitions.

scholarly journals Discotic Liquid Crystals Based on Cu(I) Complexes with Benzoylthiourea Derivatives Containing a Perfluoroalkyl Chain

2018 ◽  
Vol 2018 ◽  
pp. 1-10
Author(s):  
Monica Iliş ◽  
Viorel Cîrcu
Keyword(s):  
Liquid Crystalline ◽  
Large Temperature ◽  
Discotic Liquid Crystals ◽  
X Ray Diffraction ◽  
Scanning Calorimetry ◽  
Polarized Optical Microscopy ◽  
X Ray ◽  
Ir And Nmr Spectroscopy ◽  
Hexagonal Columnar ◽  
Mesomorphic Properties

Mesomorphic three-coordinate copper(I) complexes ([Cu(BTU)2X], where X = Cl or Br) based on a new N-benzoylthiourea (BTU) ligand with two decyloxy and one perfluorooctyl groups at its periphery were designed and prepared. The BTU ligand coordinates via the S atom in a neutral monodentate fashion as confirmed by IR and NMR spectroscopy data. The liquid crystalline behavior of these copper(I) complexes was investigated by a combination of polarized optical microscopy (POM), differential scanning calorimetry (DSC), and X-ray diffraction analysis (XRD), while their thermal stability was studied by thermogravimetric analysis (TGA). These new copper(I) complexes have mesomorphic properties and exhibit a hexagonal columnar mesophase over a large temperature range, more than 100°C.

scholarly journals Metal Complexes of π-Expanded Ligand (7): Syntheses, Structures and Properties of Pt(II) Complexes Containing the Isomeric 1- and 2-Alkyliminomethyl Pyrene Ligands

Crystals ◽  
2020 ◽  
Vol 10 (6) ◽  
pp. 476 ◽  
Author(s):  
Xuan-Dien Luong ◽  
Xuan-Truong Nguyen
Keyword(s):  
Molecular Structure ◽  
Planar Geometry ◽  
X Ray Diffraction ◽  
X Ray ◽  
Pt Complex ◽  
Physico Chemical ◽  
Clear Explanation ◽  
Square Planar ◽  
Structures And Properties ◽  
The Relationship

A [O,N] bidentate π-expanded ligand system, (E)-1-(n-octylimino)methylpyren-2-ol (2), was newly synthesized via a six-step synthesis from pyrene. The ligand 2 reacts with [PtCl2(PhCN)2] in chlorobenzene and the presence of a base at reflux for 2 h under the formation of (2(Pt)) complex with a yield of 70%. The molecular structure of (2(Pt)), studied by common spectroscopic methods and X-ray diffraction, shows a square planar geometry with a trans-configuration of the ligands. The molecular structure, absorption spectra, electrochemical properties, and phosphorescence characteristics of the (2(Pt)) complex are discussed, emphasizing the comparison with those of the previously reported Pt complex (1(Pt)) containing the isomeric ligands of 2, (E)-2-(n-octylimino)methylpyren-1-ol. The DFT calculations of the two Pt complexes are carried out and exhibit a clear explanation of the relationship between their physico-chemical characteristics.

Darstellung von 1,3,5-Trimethyl-4,6-dioxo-1,3,5,2λ3-triazaphosphinanen; Einkristall-Röntgenstrukturanalyse eines Platin(II)-Komplexes/Preparation of 1,3,5-Trimethyl-4,6-dioxo-1,3,5,2λ3-triazaphosphinanes; Single Crystal X-Ray Diffraction Study of a Platinum(II)-Complex

1992 ◽  
Vol 47 (4) ◽  
pp. 517-525 ◽  
Author(s):  
Thomas G. Meyer ◽  
Peter G. Jones ◽  
Reinhard Schmutzler
Keyword(s):  
Crown Ether ◽  
Single Crystal ◽  
Diffraction Study ◽  
Planar Geometry ◽  
Boat Conformation ◽  
Staudinger Reaction ◽  
X Ray Diffraction ◽  
X Ray ◽  
New Synthesis ◽  
Square Planar

A new synthesis for 2-chloro-1,3,5-trimethyl-4,6-dioxo-1,3,5,2λ3-triazaphosphinane (1) is described. Chlorine-fluorine exchange in 1 by means of sodium fluoride in acetonitrile in the presence of catalytic amounts of a crown ether furnished 2-fluoro-1,3,5-trimethyl-4,6-dioxo-1,3,5,2λ3-triazaphosphinane (2). The synthesis of the bromine and iodine analogues, 3 and 4, by metathesis of 1 with the appropriate trimethylsilyl halides, Me3SiBr and Me3SiI, respectively, is also described. The syntheses of an iron(0)tetracarbonyl complex (5) and of a dichloroplatinum( II) complex (6) are reported. A single crystal X-ray diffraction study was conducted on 6. [P21/c, a = 1161.3(3), b = 1423.2(3), c = 1247.7(3) pm, β = 109.42(2)°, R = 0.028], There are deviations from ideal square planar geometry at platinum. The heterocycles display a flattened boat conformation. A Staudinger reaction of 1 with Me3SiN3 led to the formation of a substituted cyclotriphosphazene.

In-house and synchrotron X-ray diffraction studies of 2-phenyl-1,10-phenanthroline, protonated salts, complexes with gold(III) and copper(II), and an orthometallation product with palladium(II)

2014 ◽  
Vol 70 (3) ◽  
pp. 260-266 ◽  
Author(s):  
Jeanette A. Krause ◽  
Daoli Zhao ◽  
Sayandev Chatterjee ◽  
Roland Falcon ◽  
Kristen Stoltz ◽  
...  
Keyword(s):  
Planar Geometry ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Compound I ◽  
Complex Iv ◽  
X Ray ◽  
Lattice Water ◽  
Square Planar ◽  
Salt Complex ◽  
Monodentate Complex

Different salts of the 2-phenyl-1,10-phenanthrolin-1-ium cation, (pnpH)+, are obtained by reacting 2-phenyl-1,10-phenanthroline (pnp), C18H12N2, (I), with a variety of anions, such as hexafluoridophosphate, C18H13N2+·PF6−, (II), trifluoromethanesulfonate, C18H13N2+·CF3SO3−, (III), tetrachloridoaurate, (C18H13N2)[AuCl4], (IV), and bromide (as the dihydrate), C18H13N2+·Br−·2H2O, (V). Compound (I) crystallizes withZ′ = 2, with both independent molecules adopting a coplanar conformation. In (II)–(IV), a hydrogen bond exists between the cation and anion, while one of the lattice water molecules serves as a hydrogen-bonded bridge between the cation and anion in (V). Reaction of (I) with HAuCl4gives the salt complex (IV); however, reaction with KAuCl4produces the monodentate complex trichlorido(2-phenyl-1,10-phenanthroline-κN10)gold(III), [AuCl3(C18H12N2)], (VI). Dichlorido(2-phenyl-1,10-phenanthroline-κ2N,N′)copper(II), [CuCl2(C18H12N2)], (VII), results from the reaction of CuCl2·2H2O and (I), in which the CuIIcenter adopts a tetrahedrally distorted square-planar geometry. The pendent phenyl ring twists to a bisecting position relative to the phenanthroline plane. The square-planar PdIIcomplex, bromido[2-(phenanthrolin-2-yl)phenyl-κ3C1,N,N′]palladium(II), [PdBr(C18H11N2)], (VIII), is obtained from the reaction of (I) with [PdCl2(cycloocta-1,5-diene)], followed by addition of bromine. A coplanar geometry for the pendent ring is adopted as a result of the tridentate bonding motif.

Coordination of a triazine ligand with CuII and AgI investigated by spectral, structural, theoretical and docking studies

2019 ◽  
Vol 75 (10) ◽  
pp. 1389-1397
Author(s):  
Farzin Marandi ◽  
Keyvan Moeini ◽  
Harald Krautscheid
Keyword(s):  
Hydrogen Bonds ◽  
Density Functional ◽  
Docking Studies ◽  
Planar Geometry ◽  
X Ray Diffraction ◽  
Aromatic Rings ◽  
X Ray ◽  
Square Planar ◽  
Binuclear Structure ◽  
Ft Ir

Two complexes of 5-phenyl-3-(pyridin-2-yl)-1,2,4-triazine (PPTA), namely (ethanol-κO)bis(nitrato-κO)[5-phenyl-3-(pyridin-2-yl-κN)-1,2,4-triazine-κN 2]copper(II), [Cu(NO3)2(C14H10N4)(C2H6O)] or [Cu(NO3)2(PPTA)(EtOH)] (1), and bis[μ-5-phenyl-3-(pyridin-2-yl)-1,2,4-triazine]-κ3 N 1:N 2,N 3;κ3 N 2,N 3:N 1-bis[(nitrato-κO)silver(I)], [Ag2(NO3)2(C14H10N4)2] or [Ag2(NO3)2(μ-PPTA)2] (2), were prepared and characterized by elemental analysis, FT–IR spectroscopy and single-crystal X-ray diffraction. The X-ray structure analysis of 1 revealed a copper complex with square-pyramdial geometry containing two O-donor nitrate ligands along with an N,N′-donor PPTA ligand and one O-donor ethanol ligand. In the binuclear structure of 2, formed by the bridging of two PPTA ligands, each Ag atom has an AgN3O environment and square-planar geometry. In addition to the four dative interactions, each Ag atom interacts with two O atoms of two nitrate ligands on adjacent complexes to complete a pseudo-octahedral geometry. Density functional theory (DFT) calculations revealed that the geometry around the Cu and Ag atoms in 1 opt and 2 opt (opt is optimized) for an isolated molecule is the same as the experimental results. In 1, O—H...O hydrogen bonds form R 1 2(4) motifs. In the crystal network of the complexes, in addition to the hydrogen bonds, there are π–π stacking interactions between the aromatic rings (phenyl, pyridine and triazine) of the ligands on adjacent complexes. The ability of the ligand and complexes 1 and 2 to interact with ten selected biomacromolecules (BRAF kinase, CatB, DNA gyrase, HDAC7, rHA, RNR, TrxR, TS, Top II and B-DNA) was investigated by docking studies. The results show that the studied compounds can interact with proteins better than doxorubicin (except for TrxR and Top II).

E/Z Isomerization of 3-Hydrazonocamphor Promoted by Coordination to Palladium or Platinum

2007 ◽  
Vol 72 (5-6) ◽  
pp. 649-665 ◽  
Author(s):  
M. Fernanda N. N. Carvalho ◽  
Ana S. D. Ferreira ◽  
João L. Ferreira da Silva ◽  
Luís F. Veiros
Keyword(s):  
Free Ligand ◽  
Intramolecular Hydrogen Bonding ◽  
Planar Geometry ◽  
Spectroscopic Techniques ◽  
X Ray Diffraction ◽  
X Ray ◽  
Square Planar ◽  
Intramolecular Hydrogen ◽  
C Nmr

3-Hydrazonocamphor, 3-(RR1NN)C10H14O (R = Me, R1 = H), undergoes intramolecular hydrogen bridging by coordination to platinum or palladium. This effect is evidenced by considerable decrease in the ν(C=O) frequency (compared to the free ligand) in the IR spectra of the complexes [MCl2L2] (M = Pd, Pt; L = 3-(RR1NN)C10H14O) as well as by the magnetic non- equivalence of the two ligands, as revealed by 13C NMR. DFT calculations indicate that coordination of 3-(Me(H)NN)C10H14O promotes E/Z isomerization of the hydrazono group of the ligand, inducing formation of intramolecular hydrogen bonding and corresponding stabilization of the complex. Characterization of the complexes [MCl2L2] (M = Pt; L: R, R1 = Me (1), R = Me, R1 = H (2) and M = Pd; L: R = Me, R1 = H (3)) was performed by analytical and spectroscopic techniques. Redox properties of the 3-hydazonocamphors and their complexes were studied by cyclic voltammetry. The structure of trans-[PtCl2{3-(Me2NN)C10H14O}2] was determined by single-crystal X-ray diffraction analysis. The complex has square-planar geometry and crystallizes in the tetragonal P43 space group.

scholarly journals A New Family of Homoleptic Copper Complexes of Curcuminoids: Synthesis, Characterization and Biological Properties

Molecules ◽  
2019 ◽  
Vol 24 (5) ◽  
pp. 910 ◽  
Author(s):  
William Meza-Morales ◽  
Juan Machado-Rodriguez ◽  
Yair Alvarez-Ricardo ◽  
Marco Obregón-Mendoza ◽  
Antonio Nieto-Camacho ◽  
...  
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Copper Complexes ◽  
Biological Properties ◽  
Planar Geometry ◽  
X Ray Diffraction ◽  
Paramagnetic Resonance ◽  
X Ray ◽  
New Family ◽  
Homoleptic Complex

We report herein the synthesis and crystal structures of five new homoleptic copper complexes of curcuminoids. The scarcity of reports of homoleptic complex structures of curcuminoids is attributed to the lack of crystallinity of such derivatives, and therefore, their characterization by single crystal X-ray diffraction is rare. The ligand design suppressing the phenolic interaction by esterification or etherification has afforded a significant increase in the number of known crystal structures of homoleptic metal complexes of curcuminoids revealing more favorable crystallinity. The crystal structures of the present new copper complexes show four-fold coordination with a square planar geometry. Two polymorphs were found for DiBncOC-Cu when crystallized from DMF. The characterization of these new complexes was carried out using infrared radiation (IR), nuclear magnetic resonance (NMR), electron paramagnetic resonance (EPR), and single crystal X-ray diffraction (SCXRD) and the antioxidant and cytotoxic activity of the obtained complexes was evaluated.

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