scholarly journals Insight into Rare Structurally Characterized Homotrinuclear CuII Non-Symmetric Salamo-Based Complex

Crystals ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. 113
Author(s):  
Yun-Dong Peng ◽  
Ruo-Yu Li ◽  
Peng Li ◽  
Yin-Xia Sun
Keyword(s):  
Hirshfeld Surface ◽  
Water Molecules ◽  
Visible Absorption ◽  
X Ray ◽  
Quenching Effect ◽  
Analysis Techniques ◽  
Elemental Analyses ◽  
Uv Visible ◽  
Insight Into ◽  
Coordination Water

A rare homotrinuclear CuII salamo-based complex [Cu3(L)2(μ-OAc)2(H2O)2]·2CHCl3·5H2O was prepared through the reaction of a non-symmetric salamo-based ligand H2L and Cu(OAc)2·H2O, and validated by elemental analyses, UV-Visible absorption, fluorescence and infrared spectra, molecular simulation and single-crystal X-ray analysis techniques. It is shown that three CuII atoms and two wholly deprotonated ligand (L)2− moieties form together a trinuclear 3:2 (M:L) complex with two coordination water molecules and two bi-dentate briging μ-acetate groups (μ-OAc−). Besides, the Hirshfeld surface analysis of the CuII complex was investigated. Compared with other ligands, the fluorescent strength of the CuII complex was evidently lowered, showing that the CuII ions possess fluorescent quenching effect.

scholarly journals Crystal structure, optical property and Hirshfeld surface analysis of bis[1-(prop-2-en-1-yl)-1H-imidazol-3-ium] hexachloridostannate(IV)

2020 ◽  
Vol 76 (10) ◽  
pp. 1624-1628
Author(s):  
Hela Ferjani
Keyword(s):  
Surface Analysis ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Hirshfeld Surface ◽  
Molecular Surface ◽  
Hirshfeld Surface Analysis ◽  
X Ray Diffraction ◽  
Visible Absorption ◽  
X Ray ◽  
Uv Visible

A new 0D organic–inorganic hybrid material bis[1-(prop-2-en-1-yl)-1H-imidazol-3-ium] hexachloridostannate(IV), (C6H9N2)2[SnCl6], has been prepared and characterized by single-crystal X-ray diffraction, Hirshfeld surface analysis and UV–visible spectroscopy. The structure consists of isolated [SnCl6]2− octahedral anions separated by layers of organic 1-(prop-2-en-1-yl)-1H-imidazol-3-ium cations. The 1-(prop-2-en-1-yl) fragment in the organic cation exhibits disorder over two sets of atomic sites having occupancies of 0.512 (9) and 0.488 (9). The crystal packing of the title compound is established by intermolecular N/C–H...Cl hydrogen bond and π– π stacking interactions. Hirshfeld surface analysis employing three-dimensional molecular surface contours and two-dimensional fingerprint plots has been used to analyse the intermolecular interactions present in the structure. The optical properties of the crystal were studied using UV–visible absorption spectroscopy, showing one intense band at 208 nm, which is attributed to π–π* transitions in the cations.

Synthesis and Characterizations of Nanocubes, Monodispersed Nanocrystals and Nanospheres of Au

2007 ◽  
Vol 353-358 ◽  
pp. 2163-2166
Author(s):  
Ming Yang ◽  
Guo Qing Zhou ◽  
Jiang Guo Zhao ◽  
Zhan Jun Li
Keyword(s):  
Electron Microscopy ◽  
Transmission Electron Microscopy ◽  
Powder Diffraction ◽  
Visible Absorption ◽  
X Ray ◽  
Transmission Electron ◽  
Uv Visible ◽  
Scherrer Formula ◽  
Visible Absorption Spectroscopy

Nanocubes, monodispersed nanocrystals and nanospheres of Au have been prepared by a simple reaction between HAuCl4·4H2O, NaOH and NH2OH·HCl in the presence of gelatin. The role of gelatin and the affection of pH in producing the nanoparticles of Au were discussed. The products were characterized by X-ray powder diffraction, transmission electron microscopy, and UV-visible absorption spectroscopy. The sizes of the monodispersed nanocrystals of Au were estimated by Debye-Scherrer formula according to XRD spectrum.

A 35-year-old mystery solved: a facile synthetic route and structural confirmation of tetrachlorobis(diethyl ether)tungsten(IV)

2021 ◽  
Vol 77 (4) ◽  
Author(s):  
Thomas E. Shaw ◽  
Alfred P. Sattelberger ◽  
Titel Jurca
Keyword(s):  
Crystal Structure ◽  
Diethyl Ether ◽  
Thermal Instability ◽  
Room Temperature ◽  
Surface Characteristics ◽  
Hirshfeld Surface ◽  
Asymmetric Unit ◽  
Synthetic Route ◽  
X Ray ◽  
Elemental Analyses

The true identity of the diethyl ether adduct of tungsten(IV) chloride, WCl4(Et2O) x , has been in doubt since 1985. Initially postulated as the bis-adduct, WCl4(Et2O)2, questions arose when elemental analyses were more in line with a mono-ether adduct, viz. WCl4(Et2O). It was proposed that this was due to the thermal instability of the bis-adduct. Here, we report the room-temperature X-ray crystal structure and Hirshfeld surface characteristics of trans-tetrachloridobis(diethyl ether)tungsten(IV), trans-WCl4(Et2O)2 or trans-[WCl4(C4H10O)2]. The compound crystallizes, with half of the molecule in the asymmetric unit, in the centrosymmetric space group P21/n. The W—O distance is 2.070 (2) Å, while the W—Cl distances are 2.3586 (10) and 2.3554 (10) Å.

Photoactive amphiphiles for the assembly of supramolecular architectures

2015 ◽  
Vol 185 ◽  
pp. 471-479 ◽  
Author(s):  
B. P. Jarman ◽  
F. Cucinotta
Keyword(s):  
Visible Spectrum ◽  
Solid Materials ◽  
Visible Absorption ◽  
Optical Components ◽  
Absorption And Emission ◽  
X Ray ◽  
Supramolecular Architectures ◽  
Uv Visible ◽  
Absorption And Emission Spectroscopy ◽  
Molecular Organisation

The presented study reports the use of photoactive templating structures for the design of porous frameworks with built-in optical functionalities. The materials have been synthesised and characterised using powder X-ray diffractometry, UV-visible absorption and emission spectroscopy. The latter shows that, by varying the relative amount of an amphiphilic chromophore in the micellar templates, it is possible to tune the light absorption and emission properties over the visible spectrum, by means of controlling the molecular organisation and the excitonic coupling of aggregated species. This enables versatile solid materials that can be used as optical components for light-harvesting and converting systems to be obtained .

scholarly journals An Unexpected Trinuclear Cobalt(II) Complex Based on a Half-Salamo-Like Ligand: Synthesis, Crystal Structure, Hirshfeld Surface Analysis, Antimicrobial and Fluorescent Properties

Crystals ◽  
2019 ◽  
Vol 9 (8) ◽  
pp. 408 ◽  
Author(s):  
Ruo-Yan Li ◽  
Xiao-Xin An ◽  
Juan-Li Wu ◽  
You-Peng Zhang ◽  
Wen-Kui Dong
Keyword(s):  
Crystal Structure ◽  
Surface Analysis ◽  
Three Dimensional ◽  
Antimicrobial Activities ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Fluorescent Properties ◽  
X Ray ◽  
X Ray Crystallography ◽  
Elemental Analyses

An unexpected trinuclear Co(II) complex, [Co3(L2)2(μ-OAc)2(CH3OH)2]·2CH3OH (H2L2 = 4,4′-dibromo-2,2′-[ethylenedioxybis(nitrilomethylidyne)]diphenol) constructed from a half-Salamo-based ligand (HL1 = 2-[O-(1-ethyloxyamide)]oxime-4-bromophenol) and Co(OAc)2·4H2O, has been synthesized and characterized by elemental analyses, infrared spectra (IR), UV-Vis spectra, X-ray crystallography and Hirshfeld surface analysis. The Co(II) complex contains three Co(II) atoms, two completely deprotonated (L2)2− units, two bridged acetate molecules, two coordinated methanol molecules and two crystalline methanol molecules, and finally, a three-dimensional supramolecular structure with infinite extension was formed. Interestingly, during the formation of the Co(II) complex, the ligand changed from half-Salamo-like to a symmetrical single Salamo-like ligand due to the bonding interactions of the molecules. In addition, the antimicrobial activities of HL1 and its Co(II) complex were also investigated.

scholarly journals Spectral, Thermal, Crystal Structure, Hirshfeld Surface Analyses and Biological Activities of New Hydrazinium Dipicolinato Copper(II) Tetrahydrate

2019 ◽  
Vol 31 (8) ◽  
pp. 1755-1761
Author(s):  
K. Naresh ◽  
B.N. Sivasankar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Water Clusters ◽  
Hirshfeld Surface ◽  
Water Molecules ◽  
X Ray ◽  
Biological Studies ◽  
Calf Thymus ◽  
Hydrazinium Cation

A new copper complex of pyridine-2,6-dicarboxylate containing hydrazinium cation, formulated as (N2H5)2[Cu(PDC)2]·4H2O (PDC = pyridine-2,6-dicarboxylate) has been synthesized from copper(II) nitrate, hydrazine hydrate and pyridine-2,6-dicarboxylic acid as a single crystal and characterized by elemental analysis and spectroscopic (IR and UV-visible), thermal (TG/DTG), single crystal X-ray diffraction and biological studies. A six-coordinate complex with a distorted octahedral geometry around Cu(II) ion is proposed and confirmed by X-ray single crystal method. The structure reveals that two pyridine-2,6-dicarboxylate species acting as tridentate ligands and hydrazinium cation present as a counter ion along with non-coordinated four water molecules. The structural units of copper(II) is mutually held by the hydrogen bonds and π···π and C–O···π interactions. The copper(II) complex is connected to one another via O–H···O hydrogen bonds, forming water clusters, which plays an important role in the stabilization of the crystal structure. In the water clusters, the water molecules are trapped by the cooperative association of coordination interactions as well as hydrogen bonds. Both cation and anion interactions and crystal from various types of intermolecular contacts and their importance were explored using Hirshfeld surface analysis. This indicates that O···H/H···O interactions are the superior interactions conforming excessive H-bond in the molecular structure. The interaction of copper(II) complex with calf thymus DNA (CT-DNA) was investigated by electronic absorption spectroscopic technique. The electronic evidence strongly shows that the compound interacts with calf thymus through intercalation with a binding constant of Kb = 5.7 × 104 M–1.

Structural and optical properties of Ba(Co1−xZnx)SiO4 (x = 0.2, 0.4, 0.6, 0.8)

2019 ◽  
Vol 34 (3) ◽  
pp. 242-250 ◽  
Author(s):  
J. Anike ◽  
R. Derbeshi ◽  
W. Wong-Ng ◽  
W. Liu ◽  
D. Windover ◽  
...  
Keyword(s):  
Lattice Parameter ◽  
X Ray Diffraction ◽  
Powder Diffraction File ◽  
Visible Absorption ◽  
X Ray ◽  
Lattice Volume ◽  
Uv Visible ◽  
Diffraction Patterns ◽  
Pattern Determination ◽  
Bright Blue

Structural characterization and X-ray reference powder pattern determination have been conducted for the Co- and Zn-containing tridymite derivatives Ba(Co1−xZnx)SiO4 (x = 0.2, 0.4, 0.6, 0.8). The bright blue series of Ba(Co1−xZnx)SiO4 crystallized in the hexagonal P63 space group (No. 173), with Z = 6. While the lattice parameter “a” decreases from 9.126 (2) Å to 9.10374(6) Å from x = 0.2 to 0.8, the lattice parameter “c” increases from 8.69477(12) Å to 8.72200(10) Å, respectively. Apparently, despite the similarity of ionic sizes of Zn2+ and Co2+, these opposing trends are due to the framework tetrahedral tilting of (ZnCo)O4. The lattice volume, V, remains comparable between 626.27 Å3 and 626.017 (7) Å3 from x = 0 to x = 0.8. UV-visible absorption spectrum measurements indicate the band gap of these two materials to be ≈3.3 and ≈3.5 eV, respectively, therefore potential UV photocatalytic materials. Reference powder X-ray diffraction patterns of these compounds have been submitted to be included in the Powder Diffraction File (PDF).

A Pyrazine-Bridged Ni(II) Coordination Polymer

2002 ◽  
Vol 57 (11) ◽  
pp. 1191-1194 ◽  
Author(s):  
Chirantan Roy Choudhury ◽  
Subrata Kumar Dey ◽  
Sutapa Sen ◽  
Bappaditya Bag ◽  
Samiran Mitra ◽  
...  
Keyword(s):  
Coordination Polymer ◽  
Chain Structure ◽  
Water Molecules ◽  
Polymeric Complex ◽  
X Ray Diffraction ◽  
Intermolecular Hydrogen Bonds ◽  
X Ray ◽  
Elemental Analyses ◽  
Coordinated Water ◽  
Nitrate Anions

The single pyrazine-bridged polymeric complex {[Ni(pyz)(H2O)4](NO3)2.2H2O}n has been synthesised and characterised by elemental analyses, IR and UV-vis spectra, and a single-crystal X-ray diffraction study. The coordination around the Ni centre is perfectly octahedral. The Ni(H2O)4 coordination planes are bridged by pyrazine ligands forming an infinite chain structure. Two nitrate anions and two water molecules exist in the lattice and are linked by intermolecular hydrogen bonds to the coordinated water molecules.

scholarly journals Preparation of Fe-DopedTiO2Nanotubes and Their Photocatalytic Activities under Visible Light

2013 ◽  
Vol 2013 ◽  
pp. 1-7 ◽  
Author(s):  
Honghui Teng ◽  
Shukun Xu ◽  
Dandan Sun ◽  
Ying Zhang
Keyword(s):  
Visible Light ◽  
Visible Region ◽  
Molar Ratio ◽  
X Ray Diffraction ◽  
Visible Absorption ◽  
X Ray ◽  
Transmission Electron ◽  
Photocatalytic Activities ◽  
Ultrasonic Assisted ◽  
Uv Visible

Fe-doped TiO2nanotubes (Fe-TNTs) have been prepared by ultrasonic-assisted hydrothermal method. The structure and composition of the as-prepared TiO2nanotubes were characterized by transmission electron microscopy, X-ray diffraction, and UV-Visible absorption spectroscopy. Their photocatalytic activities were evaluated by the degradation of MO under visible light. The UV-visible absorption spectra of the Fe-TNT showed a red shift and an enhancement of the absorption in the visible region compared to the pure TNT. The Fe-TNTs were provided with good photocatalytic activities and photostability and under visible light irradiation, and the optimum molar ratio of Ti : Fe was found to be 100 : 1 in our experiments.

Design and Optical Properties of Rare Earth-Based Mixed-Anions (O, S, F) Compounds

2002 ◽  
Vol 755 ◽  
Author(s):  
Damien Pauwels ◽  
Alain Demourgues ◽  
Alain Tressaud
Keyword(s):  
Optical Properties ◽  
Rare Earth ◽  
Solid State ◽  
Visible Absorption ◽  
X Ray ◽  
Solid State Route ◽  
Earth Environment ◽  
Fluorite Type ◽  
Uv Visible ◽  
Single Crystal Analysis

ABSTRACTRare earth-based mixed-anions (O, S, F) compounds have been prepared by solid state route. The structures have been determined on the basis of powder diffraction (X-ray/neutrons) refinement and/or single crystal analysis. They have been described as a stacking of [Sx] 2x- layers and fluorite type blocks. The evaluation of the rare earth environment (bondlength, number of neighbors) can be directly related to the bandgap and to the UV-visible absorption in the La-based compounds.

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