Synthesis, structural characterization, and properties of three Ag(I) complexes with oxazoline-containing chiral ligands

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Hai-Wei Kuai ◽  
Xiao-Chun Cheng ◽  
Xiao-Hong Zhu
Keyword(s):  
Optical Properties ◽  
Ir Spectroscopy ◽  
Single Crystal ◽  
Structural Characterization ◽  
Nonlinear Optical ◽  
Organic Ligands ◽  
Silver Complexes ◽  
X Ray Diffraction ◽  
X Ray ◽  
Silver Salts

Abstract The two enantiopure chiral organic ligands 2-[(S)-4-isopropyl-2-oxazolyl]quinoline (L1) and 2-[(S)-4-benzyl-2-oxazolyl]quinoline (L2) react with different silver salts to give rise to three new silver complexes [Ag(L1)2](SbF6) (1), [Ag(L1)(CH3CN)](ClO4) (2), and [Ag(L2)(NO3)] (3), which have been characterized by single-crystal X-ray diffraction, IR spectroscopy, elemental and thermogravimetric analyses. Complexes 1–3 all display discrete mononuclear structures. The nonlinear optical properties of 1–3 were investigated.

scholarly journals Structural Transformation from Trinuclear Linear to Tetranuclear Cubane Heterobimetallic Selenium Compounds. Structure and Optical Linearities of [Et4N]2[(μ-WSe4)(CuCl)2]

2009 ◽  
Vol 64 (2) ◽  
pp. 209-214 ◽  
Author(s):  
Shu-Lei Liu ◽  
Taike Duan ◽  
Qian-Feng Zhang ◽  
Wa-Hung Leung
Keyword(s):  
Optical Properties ◽  
Single Crystal ◽  
Structural Transformation ◽  
Pulse Width ◽  
Nonlinear Optical ◽  
Nonlinear Optical Properties ◽  
X Ray Diffraction ◽  
Selenium Compounds ◽  
X Ray ◽  
532 Nm

Reactions of [Et4N]2[WSe4] with two equivalents of [CuX] powder gave trinuclear linear compounds [Et4N]2[(μ-WSe4)(CuX)2] (X = Cl 1, Br 2). Treatment of 1 or 2 with PPh3 in CH2Cl2 resulted in the formation of tetranuclear cubane-like compounds (μ3-X)(μ3-WSe4)(CuPPh3)3 (X = Cl 3, Br 4). The structures of the heterobimetallic selenium compounds 1 and 4・MeCN were confirmed by single-crystal X-ray diffraction. The nonlinear optical properties of 1 were investigated at λ = 532 nm with a pulse width of 7 ns

A Cd complex with a di(imidazolyl)benzene ligand: synthesis, structural characterization, and fluorescence properties

2017 ◽  
Vol 72 (8) ◽  
pp. 585-588
Author(s):  
Fu-Lin Mao ◽  
Chun-Hua Dai
Keyword(s):  
Ir Spectroscopy ◽  
Single Crystal ◽  
Elemental Analysis ◽  
Structural Characterization ◽  
Structure Determination ◽  
Fluorescence Properties ◽  
X Ray Diffraction ◽  
Orthorhombic System ◽  
X Ray ◽  
2D Network

AbstractA new cadmium-organic network [Cd(L)(SO4)] (1) [L=1,3-di(4-imidazolyl)benzene] has been synthesized and characterized by single-crystal X-ray structure determination, IR spectroscopy, elemental analysis, and powder X-ray diffraction. The complex crystallizes in the orthorhombic system with space group Pnma and displays a binodal (3,5)-connected 2D network with (42.67.8)(42.6) topology. The fluorescence properties of complex 1 were investigated.

A Zn(II) complex from an imidazolyl-thiophene ligand: synthesis, structural characterization, and fluorescence

2018 ◽  
Vol 73 (6) ◽  
pp. 407-411
Author(s):  
Hai-Wei Kuai ◽  
Tao Hu ◽  
Ding-Yun Jiang ◽  
Xiao-Hong Zhu
Keyword(s):  
Ir Spectroscopy ◽  
Single Crystal ◽  
Single Crystals ◽  
Network Structure ◽  
Structural Characterization ◽  
Hydrothermal Reaction ◽  
X Ray Diffraction ◽  
Monoclinic System ◽  
Space Group ◽  
X Ray

AbstractThe hydrothermal reaction of ZnSO4 with 2,5-di(1H-imidazol-4-yl)thiophene (L) at 100°C yields a new complex [Zn(L)(SO4)]n (1). Complex 1 has been characterized by single-crystal X-ray diffraction, IR spectroscopy, and elemental and thermogravimetric analyses. It crystallizes in the monoclinic system, space group P21/c with Z=4, and shows a (44.62) network structure. Complex 1 shows fluorescence. Single crystals of L·2H2O were accidentally obtained in hydrothermal reaction attempts of L with MnCl2 at 120°C.

Syntheses, Spectral, Thermal And Structural Characterization Of 2-Hydroxyanilinium And 2-Amino-3-Hydroxy-Pyridinium Squarates

2007 ◽  
Vol 62 (6) ◽  
pp. 823-828
Author(s):  
Okan Zafer ◽  
Hümeyra Paşaoğlub ◽  
O. Ozan Yılan ◽  
Orhan Büyükgüngör
Keyword(s):  
Ir Spectroscopy ◽  
Single Crystal ◽  
Structural Characterization ◽  
Thermal Analyses ◽  
Squaric Acid ◽  
X Ray Diffraction ◽  
Monoclinic System ◽  
X Ray ◽  
Elemental Analyses

New salts of 2-hydroxyaniline and 2-amino-3-hydroxypyridine with squaric acid were synthesized and characterized by elemental analyses, IR spectroscopy and thermal analyses (TG, DTG and DTA). The crystal structures of bis(2-hydroxyanilinium) squarate, [(C6H8NO+)2(C4O4)2−] (1) and bis(2- amino-3-hydroxy-pyridinium) squarate dihydrate, [(C5H7N2O+)2(C4O4)2−] · 2 H2O (2) were determined by single crystal X-ray diffraction. Both compounds crystallize in the monoclinic system, space group P21/c. The organic ammonium squarates decompose in two thermal steps

The crystal structure, linear and nonlinear optical properties of 3-Aminonitrobenzene for photonic application — A combined experimental and theoretical investigation

2019 ◽  
Vol 28 (03) ◽  
pp. 1950028
Author(s):  
A. Arputha Latha ◽  
M. Anbuchezhiyan
Keyword(s):  
Crystal Structure ◽  
Optical Properties ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
Nonlinear Optical ◽  
Molecular Level ◽  
Nonlinear Optical Properties ◽  
X Ray Diffraction ◽  
X Ray ◽  
Linear And Nonlinear

Optically transparent good quality single crystal of 3-Aminonitrobenzene (3-ANB) was grown by slow evaporation technique using methanol as solvent. The grown crystal was subjected to single crystal X-ray diffraction analysis in order to reveal its cell parameters, crystal structure and space group. Powder X-ray diffraction analysis was carried out in order to verify the crystalline nature. UV-Vis study was carried out to measure the optical transparency of the title material and also optical band gap was determined from the transmittance window. The existence of second harmonic generation (SHG) in the title material was confirmed by Kurtz–Perry powder technique. In order to throw light on the crystal structure, linear and nonlinear optical properties at molecular level, Density Functional Theory (DFT) was employed using B3LYP/6[Formula: see text]G (d, p) level of basis set. The DFT study illustrates the HOMO–LUMO energy gap analysis and the existence of SHG behavior of 3-ANB at molecular level.

Syntheses and structural characterization of coordination polymers of Cu(II) and Zn(II) chlorobenzoates and bis(pyridin-4-yl)-substituted species

2015 ◽  
Vol 70 (2) ◽  
pp. 95-100 ◽  
Author(s):  
Fu-Lin Mao ◽  
Jian-Qing Tao ◽  
Chun-Hua Dai
Keyword(s):  
Ir Spectroscopy ◽  
Single Crystal ◽  
Coordination Polymers ◽  
Network Structure ◽  
Structural Characterization ◽  
Chain Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
A Chain

AbstractThe reaction of Cu(II) nitrate with sodium 2-chlorobenzoate (NaL1) and (E)-1,2-di(pyridin-4-yl)ethene (dpe) yields a new complex [Cu(L1)2(dpe)(H2O)] (1). When Zn(II) nitrate reacts with sodium 4-chlorobenzoate (NaL2) and 1,2-di(pyridin-4-yl)ethane (dpa), [Zn(L2)2(dpa)]·CH3OH (2) is obtained. Complexes 1 and 2 have been characterized by single-crystal X-ray diffraction, IR spectroscopy, and elemental and thermogravimetric analyses. 1 shows a 3D CdS network structure with uninodal 4-connected (65.8) topology; complex 2 displays a chain structure.

Helical chain Ag(I) complexes with a tridentate N-donor ligand: syntheses, structural characterization, and properties

2015 ◽  
Vol 70 (12) ◽  
pp. 851-856 ◽  
Author(s):  
Chun-Hua Dai ◽  
Fu-Lin Mao
Keyword(s):  
Ir Spectroscopy ◽  
Single Crystal ◽  
Structural Characterization ◽  
Fluorescence Properties ◽  
Helical Chain ◽  
Donor Ligand ◽  
Thermogravimetric Analyses ◽  
X Ray

AbstractThe tridentate N-donor ligand 2,6-di(2-oxazolyl)pyridine (L) reacts with AgClO4 and AgPF6 to yield two new complexes, {[Ag5(L)5](ClO4)5}n (1) and {[Ag5(L)5](PF6)5}n (2), which have been characterized by single-crystal and powder X-ray diffractions, IR spectroscopy, and elemental and thermogravimetric analyses. Complexes 1 and 2 are isotypic, displaying helical chain structures. The fluorescence properties of 1 and 2 were investigated.

New solvates and a salt of the anti-HIV compound etravirine

2021 ◽  
Vol 77 (11) ◽  
Author(s):  
Marieta Muresan-Pop ◽  
Sergiu Macavei ◽  
Alexandru Turza ◽  
Gheorghe Borodi
Keyword(s):  
Thermal Analysis ◽  
Ir Spectroscopy ◽  
Force Field ◽  
Single Crystal ◽  
Total Energy ◽  
Hirshfeld Surface ◽  
X Ray Diffraction ◽  
X Ray ◽  
Lattice Energies ◽  
Anti Hiv

Four new solvates of the anti-HIV compound etravirine [systematic name: 4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile, C20H15BrN6O] with dimethyl sulfoxide (C2H6OS, two distinct monosolvates), 1,4-dioxane (C4H8O2, the 0.75-solvate) and N,N-dimethylacetamide (C4H9NO, the monosolvate), which exhibit conversion to the same anhydrous etravirine phase upon desolvation, and a stable etravirinium oxalate salt {6-amino-5-bromo-4-(4-cyano-2,6-dimethylphenoxy)-2-[(4-cyanophenyl)amino]pyrimidin-1-ium hemioxalate, C20H16BrN6O+·0.5C2O4 2−} were obtained. The crystal structures were solved by single-crystal X-ray diffraction and analyzed by powder X-ray diffraction, and the intermolecular interactions were explored by Hirshfeld surface analysis. Lattice energies were evaluated using the atom–atom force field Coulomb–London–Pauli (AA CLP) approximation, which distributes the total energy as four separate contributions: Coulombic, polarization, dispersion and repulsion. The formation of the solvates and the oxalate salt was further characterized by thermal analysis and IR spectroscopy.

scholarly journals Synthesis and structure of macrocyclic dinickel(II) complex with 5-(4-pyridyl)tetrazolate as coligand

2021 ◽  
pp. 3-10
Author(s):  
Sergei V. Voitekhovich ◽  
Berthold Kersting ◽  
Oleg A. Ivashkevich
Keyword(s):  
Ir Spectroscopy ◽  
Single Crystal ◽  
Elemental Analysis ◽  
Dinuclear Complex ◽  
X Ray Diffraction ◽  
X Ray

The dinuclear nickel(II) complex [Ni2LmClO4] + , where Lm represents a 24-membered macrocyclic hexaaza-dithiophenolate ligand, reacts with 5-(4-pyridyl)tetrazole (PyrCN4H) to give the dinuclear complex [Ni2Lm(PyrCN4)]+ . The new complex was both isolated as perchlorate or tetraphenylborate salts and characterised by elemental analysis and IR spectroscopy. The structure of [Ni2Lm(PyrCN4)]BPh4 ⋅ MeCN was determined by single crystal X-ray diffraction, showing that tetrazolate units are in a N2,N3-bridging mode to generate dioctahedral N3Ni(µ-S)2(µ-N4CPyr)NiN3 core.

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