Th@D5h(6)-C80: highly symmetric fullerene cage stabilized by a single metal ion

2021 ◽  
Author(s):  
Ning Chen ◽  
Yingjing Yan ◽  
Roser Morales-Martínez ◽  
Jiaxin Zhuang ◽  
Yang-Rong Yao ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Raman Spectroscopy ◽  
Single Crystal ◽  
Metal Ion ◽  
Xrd Analysis ◽  
Fullerene Cage ◽  
Single Crystal Xrd ◽  
X Ray Diffraction ◽  
X Ray ◽  
Single Crystal Xrd Analysis

A novel endohedral metallofullerene (mono-EMF), Th@D5h(6)-C80, has been successfully synthesized and fully characterized by mass spectrometry, single crystal X-ray diffraction, UV-vis-NIR, Raman spectroscopy and cyclic voltammetry. Single crystal XRD analysis...

Two 3D ZnII Metal–Organic Frameworks with 3- and 8-Fold Interpenetration: Syntheses, Structures, Photodegradation, and Photoluminescent Properties

2017 ◽  
Vol 70 (3) ◽  
pp. 314 ◽  
Author(s):  
Chuan-Bin Fan ◽  
Xiang-Min Meng ◽  
Yu-Hua Fan ◽  
Zi-Ao Zong ◽  
Xiao-Yin Zhang ◽  
...  
Keyword(s):  
Single Crystal ◽  
Metal Organic Frameworks ◽  
Xrd Analysis ◽  
Donor Ligands ◽  
Photoluminescence Properties ◽  
X Ray Diffraction ◽  
X Ray ◽  
Metal Organic ◽  
Solvothermal Conditions ◽  
Single Crystal Xrd Analysis

Two novel coordination polymers, namely {[Zn(sbdc)(bmib)]·0.4H2O}n (1) and {[Zn(sbdc)(bibd)]·DMF}n (2) (H2sbdc = 4,4′-stilbenedicarboxylic, bmib = 1,4-bis(2-methylimidazol-1-yl)butane, bibd = 1,1′-(1,4-butanediyl)bis(imidazole), DMF = N,N-dimethylformamide), have been acquired under solvothermal conditions, and have been characterised by elemental analysis, infrared spectra, thermogravimetric analysis, and single-crystal X-ray diffraction (XRD). Single-crystal XRD analysis reveals that 1 shows eight-fold interpenetrating 3D frameworks with a four-connected (66) sqc6 topology and 2 displays four-connected three-fold interpenetrating 3D frameworks. The flexible N-donor ligands play an important role in the construction of the final topological structures for 1 and 2. Furthermore, 1 and 2 exhibit good photodegradation capability and photoluminescence properties.

scholarly journals Crystal Structure of Moganite and Its Anisotropic Atomic Displacement Parameters Determined by Synchrotron X-ray Diffraction and X-ray/Neutron Pair Distribution Function Analyses

Minerals ◽  
2021 ◽  
Vol 11 (3) ◽  
pp. 272
Author(s):  
Seungyeol Lee ◽  
Huifang Xu ◽  
Hongwu Xu ◽  
Joerg Neuefeind
Keyword(s):  
Crystal Structure ◽  
Distribution Function ◽  
Single Crystal ◽  
Pair Distribution Function ◽  
Atomic Displacement ◽  
Single Crystal Xrd ◽  
X Ray Diffraction ◽  
X Ray ◽  
Neutron Pair ◽  
Atomic Displacement Parameters

The crystal structure of moganite from the Mogán formation on Gran Canaria has been re-investigated using high-resolution synchrotron X-ray diffraction (XRD) and X-ray/neutron pair distribution function (PDF) analyses. Our study for the first time reports the anisotropic atomic displacement parameters (ADPs) of a natural moganite. Rietveld analysis of synchrotron XRD data determined the crystal structure of moganite with the space group I2/a. The refined unit-cell parameters are a = 8.7363(8), b = 4.8688(5), c = 10.7203(9) Å, and β = 90.212(4)°. The ADPs of Si and O in moganite were obtained from X-ray and neutron PDF analyses. The shapes and orientations of the anisotropic ellipsoids determined from X-ray and neutron measurements are similar. The anisotropic ellipsoids for O extend along planes perpendicular to the Si-Si axis of corner-sharing SiO4 tetrahedra, suggesting precession-like movement. Neutron PDF result confirms the occurrence of OH over some of the tetrahedral sites. We postulate that moganite nanomineral is stable with respect to quartz in hypersaline water. The ADPs of moganite show a similar trend as those of quartz determined by single-crystal XRD. In short, the combined methods can provide high-quality structural parameters of moganite nanomineral, including its ADPs and extra OH position at the surface. This approach can be used as an alternative means for solving the structures of crystals that are not large enough for single-crystal XRD measurements, such as fine-grained and nanocrystalline minerals formed in various geological environments.

scholarly journals Pyrene Carboxylate Ligand Based Coordination Polymers for Microwave-Assisted Solvent-Free Cyanosilylation of Aldehydes

Molecules ◽  
2021 ◽  
Vol 26 (4) ◽  
pp. 1101
Author(s):  
Anirban Karmakar ◽  
Anup Paul ◽  
Elia Pantanetti Sabatini ◽  
M. Fátima C. Guedes da Silva ◽  
Armando J. L. Pombeiro
Keyword(s):  
Coordination Polymer ◽  
Single Crystal ◽  
Coordination Polymers ◽  
Metal Ion ◽  
Solvent Free ◽  
Lewis Acidity ◽  
Carboxylate Ligand ◽  
X Ray Diffraction ◽  
X Ray ◽  
Microwave Assisted

The new coordination polymers (CPs) [Zn(μ-1κO1:1κO2-L)(H2O)2]n·n(H2O) (1) and [Cd(μ4-1κO1O2:2κN:3,4κO3-L)(H2O)]n·n(H2O) (2) are reported, being prepared by the solvothermal reactions of 5-{(pyren-4-ylmethyl)amino}isophthalic acid (H2L) with Zn(NO3)2.6H2O or Cd(NO3)2.4H2O, respectively. They were synthesized in a basic ethanolic medium or a DMF:H2O mixture, respectively. These compounds were characterized by single-crystal X-ray diffraction, FTIR spectroscopy, thermogravimetric and elemental analysis. The single-crystal X-ray diffraction analysis revealed that compound 1 is a one dimensional linear coordination polymer, whereas 2 presents a two dimensional network. In both compounds, the coordinating ligand (L2−) is twisted due to the rotation of the pyrene ring around the CH2-NH bond. In compound 1, the Zn(II) metal ion has a tetrahedral geometry, whereas, in 2, the dinuclear [Cd2(COO)2] moiety acts as a secondary building unit and the Cd(II) ion possesses a distorted octahedral geometry. Recently, several CPs have been explored for the cyanosilylation reaction under conventional conditions, but microwave-assisted cyanosilylation of aldehydes catalyzed by CPs has not yet been well studied. Thus, we have tested the solvent-free microwave-assisted cyanosilylation reactions of different aldehydes, with trimethylsilyl cyanide, using our synthesized compounds, which behave as highly active heterogeneous catalysts. The coordination polymer 1 is more effective than 2, conceivably due to the higher Lewis acidity of the Zn(II) than the Cd(II) center and to a higher accessibility of the metal centers in the former framework. We have also checked the heterogeneity and recyclability of these coordination polymers, showing that they remain active at least after four recyclings.

scholarly journals A Covalent Organic Cage Compound Acting as a Supramolecular Shadow Mask for the Regioselective Functionalization of C60

2020 ◽  
Author(s):  
Viktoria Leonhardt ◽  
Stefanie Fimmel ◽  
Ana-Maria Krause ◽  
Florian Beuerle
Keyword(s):  
Mass Spectrometry ◽  
Single Crystal ◽  
High Selectivity ◽  
Shadow Mask ◽  
X Ray Diffraction ◽  
X Ray ◽  
Trigonal Bipyramidal ◽  
Cage Compound ◽  
Vis Spectroscopy ◽  
Regioselective Functionalization

<div><div><div><p>A trigonal-bipyramidal covalent organic cage compound serves as an efficient host to form stable 1:1-complexes with C60 and C70. Fullerene encapsulation has been comprehensively studied by NMR and UV/Vis spectroscopy, mass spectrometry as well as single-crystal X-ray diffraction. Exohedral functionalization of encapsulated C60 via threefold Prato reaction revealed high selectivity for the symmetry-matched all-trans-3 addition pattern.</p></div></div></div>

A POM-based copper-coordination polymer crystal material for phenolic compound degradation by immobilizing horseradish peroxidase

2021 ◽  
Author(s):  
Ying Lu ◽  
Tong Zhang ◽  
Yue-Xian Zhang ◽  
Xiao-Jing Sang ◽  
Fang Su ◽  
...  
Keyword(s):  
Coordination Polymer ◽  
Horseradish Peroxidase ◽  
Single Crystal ◽  
Phenolic Compound ◽  
Xrd Analysis ◽  
X Ray Diffraction ◽  
Inorganic Hybrid ◽  
X Ray ◽  
Polymer Crystal ◽  
Copper Coordination

A new polyoxometalate (POM)-based organic-inorganic hybrid Cu-coordination polymer, namely {((Cu(bipy))2(μ-PhPO3)2Cu(bipy))2H(PCuW11O39)∙3H2O}n (denoted as compound 1, bipy = 2,2'-bipyridine, PhPO3 = phenylphosphonate), was self-assembled hydrothermally. Single-crystal X-ray diffraction (SC-XRD) analysis shows that...

Dielectric Properties and Raman Spectroscopy in Ca-Substituted Na0.5Bi0.5TiO3 Ferroelectric Ceramics

2011 ◽  
Vol 324 ◽  
pp. 298-301 ◽  
Author(s):  
Roy Jean Roukos ◽  
Olivier Bidault ◽  
Julien Pansiot ◽  
Ludivine Minier ◽  
Lucien Saviot
Keyword(s):  
Raman Spectroscopy ◽  
Dielectric Properties ◽  
Room Temperature ◽  
Rhombohedral Phase ◽  
Xrd Analysis ◽  
Solid State Reaction Method ◽  
Ferroelectric Ceramics ◽  
Dielectric Measurements ◽  
X Ray Diffraction ◽  
X Ray

Lead free Na0.5Bi0.5TiO3 (NBT) and (Na0.5Bi0.5TiO3)1-x(CaTiO3)x (NBT-CT) piezoelectric ceramics with the perovskite structure were studied. The NBT and NBT-CT samples were synthesized using a solid-state reaction method and characterized with X-ray diffraction (XRD), Raman spectroscopy and dielectric measurements for several compositions (x = 0, 0.07, 0.15) at room temperature. The XRD analysis showed a stabilization of a rhombohedral phase at a low concentration of Ca (0 < x <0.15), whereas Raman spectra reveal a strong modification for the sample with x = 0.15. The dielectric properties of these ceramics were studied by measuring impedance in the 79-451K temperature range for unpoled and field cooling with an electric field (FC) conditions.

Refinement of the layered titanosilicate AM-1 from single-crystal X-ray diffraction data

2007 ◽  
Vol 63 (11) ◽  
pp. i186-i186 ◽  
Author(s):  
Stanislav Ferdov ◽  
Uwe Kolitsch ◽  
Christian Lengauer ◽  
Ekkehart Tillmanns ◽  
Zhi Lin ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Hydrogen Bonding ◽  
Single Crystal ◽  
Single Crystals ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
X Ray ◽  
First Time ◽  
Ir And Raman ◽  
Bonding Scheme

The structure of the layered noncentrosymmetric titanosilicate AM-1 (also known as JDF-L1, disodium titanium tetrasilicate dihydrate), Na4Ti2Si8O22·4H2O, grown as small single crystals without the use of organics, has been refined from single-crystal X-ray diffraction data. The H atom has been located for the first time, and the hydrogen-bonding scheme is also characterized by IR and Raman spectroscopy. All atoms are in general positions except for the Na, the Ti, one Ti-bound O, one Si-bound O and the water O atoms (site symmetries 2, 4, 4, 2 and 2, respectively).

Mn-rich graftonite, ferrisicklerite, staněkite and Mn-rich vivianite in a granitic pegmatite at Soè Valley, central Alps, Italy

2007 ◽  
Vol 71 (5) ◽  
pp. 579-585 ◽  
Author(s):  
A. Guastoni ◽  
F. Nestola ◽  
G. Mazzoleni ◽  
P. Vignola
Keyword(s):  
Single Crystal ◽  
Cell Volume ◽  
Unit Cell Volume ◽  
Unit Cell ◽  
Hydrothermal Fluids ◽  
Granitic Pegmatite ◽  
Single Crystal Xrd ◽  
Central Alps ◽  
X Ray Diffraction ◽  
X Ray

AbstractMn-rich graftonite, (Ca,Mn2+)(Fe2+,Mn2+)2(PO4)2, ferrisicklerite, Li1–x(Fe3+,Mn2+)PO4, manganoan apatite, (Ca,Mn2+,Fe2+Mg)(PO4)3Cl, staně kite, Fe3+Mn2+O(PO4) and Mn-rich vivianite, (Fe2+)3(PO4)2·8H2O, occurring in a granitic pegmatite at Soè Valley (central Alps, Italy) were characterized by powder and single-crystal X-ray diffraction (XRD) and electron microprobe analyses. Geochemically, the Mn-rich graftonite phases are poorly evolved Fe/Mn-phosphates of rare-earth elements-lithium (REE-Li) granitic pegmatites. The assemblage Mn-rich graftonite + ferrisicklerite + staněkite has rarely beendocumen ted in pegmatites. Inthe Soè Valley pegmatite, ferrisicklerite forms exsolution lamellae with Mn-rich graftonite associated with manganoan apatite and staněkite. Graftonite is associated with Mn-rich vivianite. Powder and single-crystal XRD data indicate that the unit-cell volume of graftonite increases as a function of Mn2+content. Staněkite shows a distinctly smaller unit-cell volume with respect to previously reported staněkites, probably due to reduced Mn2+. Vivianite with significant Mn2+has a unit-cell volume similar to nearly Mn-free vivianite. The formation of Mn-rich graftonite and manganoan apatite is related to destabilization of Mn-rich almandine and biotite during pegmatite formation. Ferrisicklerite forms exsolution lamellae along the 010 cleavage planes of Mn-rich graftonite, whereas staněkite forms by alterationof ferrisicklerite and Mn-rich vivianite due to circulation of late-stage hydrothermal fluids.

Study by X-ray diffraction and Raman spectroscopy of a Dy@C $_{\mathsf{82}}$ single crystal

2003 ◽  
Vol 35 (3) ◽  
pp. 371-375 ◽  
Author(s):  
T. W�gberg ◽  
P. Launois ◽  
R. Moret ◽  
H. J. Huang ◽  
S. H. Yang ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Single Crystal ◽  
X Ray Diffraction ◽  
X Ray

Chemistry through cocrystals: pressure-induced polymerization of C2H2·C6H6to an extended crystalline hydrocarbon

2018 ◽  
Vol 20 (10) ◽  
pp. 7282-7294 ◽  
Author(s):  
Matthew D. Ward ◽  
Haw-Tyng Huang ◽  
Li Zhu ◽  
Arani Biswas ◽  
Dmitry Popov ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Single Crystal ◽  
Diamond Anvil Cell ◽  
X Ray Diffraction ◽  
X Ray ◽  
Diamond Anvil

The 1 : 1 acetylene–benzene cocrystal, C2H2·C6H6, was synthesized under pressure in a diamond anvil cell (DAC) and its evolution under pressure was studied with single-crystal X-ray diffraction and Raman spectroscopy.

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