scholarly journals Structural Variations in Manganese Halide Chain Compounds Mediated by Methylimidazolium Isomers

Crystals ◽  
2020 ◽  
Vol 10 (10) ◽  
pp. 930
Author(s):  
Ceng Han ◽  
David B. Cordes ◽  
Alexandra M. Z. Slawin ◽  
Philip Lightfoot
Keyword(s):  
Hydrogen Bonding ◽  
Ambient Temperature ◽  
X Ray Diffraction ◽  
Structural Variations ◽  
One Dimensional ◽  
X Ray ◽  
Chain Compounds ◽  
Red Luminescence ◽  
New Compounds ◽  
Related Compounds

The structures of two new hybrid organic–inorganic manganese halide compounds [1MiH]MnCl3(H2O) and [4MiH]MnCl3(H2O) ([1MiH] = 1-methylimidazolium, [4MiH] = 4-methylimidazolium) have been determined by single crystal X-ray diffraction. Both are composed of one dimensional [MnCl3(H2O)]n− edge-sharing octahedral chains. The structures are compared to the previously reported isomeric analogue [2MiH]MnCl3(H2O) ([2MiH] = 2-methylimidazolium), and three closely related compounds. The variations in packing of the inorganic chains are shown to be influenced by hydrogen bonding abilities of the imidazolium or related moieties. Both new compounds show intense red luminescence at ambient temperature under UV irradiation.

scholarly journals Three New Lead Iodide Chain Compounds, APbI3, Templated by Molecular Cations

Crystals ◽  
2019 ◽  
Vol 9 (12) ◽  
pp. 616 ◽  
Author(s):  
Yuan-Yuan Guo ◽  
Lin-Jie Yang ◽  
Philip Lightfoot
Keyword(s):  
X Ray Diffraction ◽  
Lead Iodide ◽  
One Dimensional ◽  
X Ray ◽  
Hybrid Compounds ◽  
Photovoltaic Application ◽  
Chain Compounds ◽  
Molecular Cations ◽  
New Compounds ◽  
Lead Halide

The crystal structures of three new hybrid organic-inorganic lead halide compounds [IqH]PbI3, [4MiH]PbI3, and [BzH]PbI3 ([IqH+] = isoquinolinium, [4MiH+] = 4-methylimidazolium, [BzH+] = benzotriazolium) have been determined by single crystal x-ray diffraction. All three compounds have the same generic formula as perovskite, ABX3, but adopt a rare non-perovskite structure built from one dimensional (1D) edge-sharing octahedral chains. The bandgap of each compound was investigated by solid UV-Vis spectra. In comparison with previously reported hybrid compounds containing the same type of octahedral chains, [C10H7CH2NH3]Pbl3 and (C7H7N2)PbI3, all three new compounds have lower bandgaps (<2.4 ev), indicating that they may be promising for photovoltaic application.

scholarly journals Crystal structures of (E)-1-naphthaldehyde oxime and (E)-phenanthrene-9-carbaldehyde oxime

2018 ◽  
Vol 74 (3) ◽  
pp. 332-336
Author(s):  
Jamal Lasri ◽  
Katherine Chulvi ◽  
Naser Eltaher Eltayeb
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Hydroxylamine Hydrochloride ◽  
Dihedral Angles ◽  
Hydrogen Bonding Interaction ◽  
X Ray Diffraction ◽  
One Dimensional ◽  
X Ray ◽  
Bonding Interaction ◽  
Polymeric Chains

The aldoximes C11H9NO (I) and C15H11NO (II), synthesized inca90% yield, by treatment of 1-naphthaldehyde or phenanthrene-9-carbaldehyde, respectively, with hydroxylamine hydrochloride and sodium carbonate, have been characterized by IR,1H,13C and DEPT-135 NMR spectroscopies, and also by single-crystal X-ray diffraction analysis. The molecules of (I) and (II) are conformationally similar, with the aldoxime substituent groups lying outside the planes of the naphthalene or phenanthrene rings, forming dihedral angles with them of 23.9 (4) and 27.9 (6)°, respectively. The crystal structures of both (I) and (II) are similar with a single intermolecular O—H...N hydrogen-bonding interaction, giving rise to the formation of one-dimensional polymeric chains extending along the 21(b) screw axes in each.

scholarly journals Synthesis, structural and conformational study of selected N-substituted phthalimides

2005 ◽  
Vol 3 (4) ◽  
pp. 683-704 ◽  
Author(s):  
Isabel Iriepa ◽  
F. Javier Villasante ◽  
Enrique Gálvez ◽  
Antonio Herrera ◽  
Angel Sánchez ◽  
...  
Keyword(s):  
Double Resonance ◽  
13C Nmr Spectroscopy ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
1H And 13C Nmr ◽  
Conformational Studies ◽  
One Dimensional ◽  
X Ray ◽  
Nmr Techniques ◽  
New Compounds

AbstractThis paper synthesizes N-substituted phthalimides derived from nitrogen heterocycles as potential 5-HT4 ligands by using the Mitsunobu reaction. Conformational studies of some of the new compounds have been conducted using 1H and 13C-NMR spectroscopy. Proton and carbon resonances were achieved through the application of one-dimensional selective NOE, two-dimensional NMR techniques-homonuclear COSY-45, NOESY and heteronuclear 1H-13C HMQC correlated spectroscopy- and double resonance experiments. The crystal structure of compound 1 was determined by X-ray diffraction.

Isostructural organic–inorganic hybrid compounds: triethylcholine tribromidocadmate and triethylcholine tribromidomercurate

2015 ◽  
Vol 71 (8) ◽  
pp. 728-732
Author(s):  
Dong-Yan Wang ◽  
Xue-Li Hou ◽  
Xue-Nan Li
Keyword(s):  
Hydrogen Bonding ◽  
Hybrid Materials ◽  
X Ray Diffraction ◽  
Inorganic Hybrid ◽  
One Dimensional ◽  
X Ray ◽  
Hybrid Compounds ◽  
Trigonal Bipyramidal ◽  
Hydrogen Bonding Interactions ◽  
Distorted Trigonal Bipyramidal

In order to search for new anionic architectures and develop useful organic–inorganic hybrid materials in halometallate systems, two new crystalline organic–inorganic hybrid compounds have been prepared,i.e. catena-poly[triethyl(2-hydroxyethyl)azanium [[bromidocadmate(II)]-di-μ-bromido]], {(C8H20NO)[CdBr3]}n, (1), andcatena-poly[triethyl(2-hydroxyethyl)azanium [[bromidomercurate(II)]-di-μ-bromido]], {(C8H20NO)[HgBr3]}n, (2), and the structures determined by X-ray diffraction analysis. The compounds are isostructural, crystallizing in the space groupP21/n. The metal centres are five-coordinated by bromide anions, giving a slightly distorted trigonal–bipyramidal geometry. The crystal structures consist of one-dimensional edge-sharing chains ofMBr5trigonal bipyramids, between which triethylcholine counter-cations are intercalated. O—H...Br hydrogen-bonding interactions are present between the cations and anions.

Synthesis, X-ray characterization and DFT studies of bis-N-imidazolylpyrimidine salts: the prominent role of hydrogen bonding and anion–π interactions

CrystEngComm ◽  
2014 ◽  
Vol 16 (38) ◽  
pp. 9043-9053 ◽  
Author(s):  
Francisca Orvay ◽  
Antonio Bauzá ◽  
Miquel Barceló-Oliver ◽  
Angel García-Raso ◽  
Joan J. Fiol ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Single Crystal ◽  
Elemental Analysis ◽  
Dft Studies ◽  
X Ray Diffraction ◽  
X Ray ◽  
Π Interactions ◽  
New Compounds

Five new compounds have been synthesized and characterized by elemental analysis, IR, NMR and single-crystal X-ray diffraction. They present interesting assemblies in the solid state dominated by H-bonding and anion–π interactions.

Neutronen- und Röntgenbeugungsuntersuchungen an Pulvern und Einkristallen von Strukturverwandten des Berliner Blaus: CsMnIICrIII(CN)6 · D2O , NMe4MnII(Cr0,06,Mn0,94)III(CN)6 · 8 H2O , NMe4MnIICoIII(CN)6 · 8 H20 , Mn3II[MnIII(CN)6]2 · 15 H2O und Cd3[FeIII(CN)6]2 · 15 H2O / Neutron and X-Ray Diffraction Studies on Powders and Single Crystals of Compounds Structurally Related to Prussian Blue: CsMnIICrIII(CN)6 · D2O, NMe4MnII(Cr0,06Mn0,94)III(CN)6 · 8 H2O, NMe4MnIICoIII(CN)6 · 8 H2O, Mn3II[MnIII(CN)6]2 · 15 H2O and Cd3[FeIII(CN)6]2 · 15 H2O

1999 ◽  
Vol 54 (7) ◽  
pp. 870-876 ◽  
Author(s):  
Bernd Ziegler ◽  
Michael Witzel ◽  
Martin Schwarten ◽  
Dietrich Babel
Keyword(s):  
Crystal Structure ◽  
Ambient Temperature ◽  
Single Crystal ◽  
Single Crystals ◽  
Structure Refinement ◽  
Three Dimensional ◽  
Crystal Structure Refinement ◽  
X Ray Diffraction ◽  
One Dimensional ◽  
X Ray

The results of a Rietveld refinement of CsMnCr(CN)6 · D2O neutron powder data (a = 1084.3(1) pm, F4̄3m, Z = 4) and of a neutron single crystal structure refinement of tetragonal NMe4MnII(Cr0,06Mn0,94)III(CN)6 · 8 H2O (a = 1065.8(21), c = 1064.6(26) pm, P4/n, Z = 2) at ambient temperature are reported. Single crystal X-ray analyses of the isostructural octahydrate NMe4MnCo(CN)6 · 8 H20 (a = 1062.1 (1), c = 1046.2( 1) pm) and of gel-grown crystals of cubic Mn3II[MnIII(CN)6]2 - 15 H2O (a = 1062.6(3) pm, Fm3̄m, Z = 4/3) and Cd3[Fe(CN)6]2 · 15 H2O (a = 1067.7(3) pm) were performed as well. The latter “Prussian Blues” are highly disordered and intermediate with respect to cyano-bridging between the above three-dimensional cesium and one-dimensional tetramethylammonium compounds.

Low Dimensional Materials: Syntheses, Structures, and Optical Properties of Rb2CuTaS4, Rb2CuTaSe4, RbCu2TaSe4, K3Ag3Ta2Se8, and Rb3AgTa2Se12

2004 ◽  
Vol 59 (9) ◽  
pp. 1006-1014 ◽  
Author(s):  
Yuandong Wu ◽  
Christian Näther ◽  
Wolfgang Bensch
Keyword(s):  
Structure Type ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
Space Group ◽  
One Dimensional ◽  
X Ray ◽  
Low Dimensional ◽  
New Compounds ◽  
Ir Spectroscopic ◽  
Low Dimensional Materials

The new compounds Rb2CuTaS4 (1), Rb2CuTaSe4 (2), RbCu2TaSe4 (3), K3Ag3Ta2Se8 (4), and Rb3AgTa2Se12 (5) have been synthesized by the reactive flux method at 773 or 873 K. Their crystal structures were determined by single crystal X-ray diffraction. Crystal data for 1: space group Fddd, a = 5.598(1), b = 13.512(4), c = 23.854(5) Å , Z = 8; Crystal data for 2: space group Fddd, a = 5.782(1), b = 13.924(3), c = 24.653(5) Å , Z = 8; Crystal data for 3: space group C2cm, a = 5.7218(3), b = 19.2463(13), c = 7.7456(5) Å , Z = 4; Crystal data for 4: space group C2/c, a = 25.1374(19), b = 6.1007(3), c = 14.4030(11) Å , β = 119.703(8)◦, Z = 4; Crystal data for 5: space group P21/n, a = 9.8186(6), b = 13.7462(11), c = 15.7368(9) Å , β = 96.681(7)◦, Z = 4. The compounds 1 and 2 are built up of 1∞[CuTaQ4]2− anionic chains which are formed by edge-sharing CuQ4 and TaQ4 tetrahedra. The rubidium cations are located between the chains. Compound 3 consists of 2∞[Cu2TaSe4]− anionic layers separated by rubidium cations. The anionic layers are formed by1∞[CuTaSe4]2− chains which are connected by CuSe4 tetrahedra that share common edges with the TaSe4 tetrahedra of neighboring chains. In compound 4 1∞[Ag3Ta2Se8]3− anionic chains are found which are separated by potassium cations. These chains are formed by successive corner sharing of AgSe4 tetrahedra and edge sharing between AgSe4 and TaSe4 tetrahedra. All three structures are closely related with the sulvanite (Cu3VS4) structure type. Compound 5 contains a one dimensional 1∞[AgTa2Se12]3− anionic chain formed by interconnection of AgSe4 tetrahedra and [Ta2Se11] units. In the structure three monoselenide, three diselenide, and one triselenide anions are found. Raman and far-IR spectroscopic data of compounds 1 and 4 were collected and an interpretation is presented.

scholarly journals Crystal Chemical Relations in the Shchurovskyite Family: Synthesis and Crystal Structures of K2Cu[Cu3O]2(PO4)4 and K2.35Cu0.825[Cu3O]2(PO4)4

Crystals ◽  
2021 ◽  
Vol 11 (7) ◽  
pp. 807
Author(s):  
Ilya V. Kornyakov ◽  
Sergey V. Krivovichev
Keyword(s):  
Crystal Structure ◽  
Crystal Structures ◽  
Structural Complexity ◽  
Crystal Chemical ◽  
X Ray Diffraction ◽  
Complexity Measures ◽  
X Ray ◽  
The Family ◽  
Similarities And Differences ◽  
Related Compounds

Single crystals of two novel shchurovskyite-related compounds, K2Cu[Cu3O]2(PO4)4 (1) and K2.35Cu0.825[Cu3O]2(PO4)4 (2), were synthesized by crystallization from gaseous phase and structurally characterized using single-crystal X-ray diffraction analysis. The crystal structures of both compounds are based upon similar Cu-based layers, formed by rods of the [O2Cu6] dimers of oxocentered (OCu4) tetrahedra. The topologies of the layers show both similarities and differences from the shchurovskyite-type layers. The layers are connected in different fashions via additional Cu atoms located in the interlayer, in contrast to shchurovskyite, where the layers are linked by Ca2+ cations. The structures of the shchurovskyite family are characterized using information-based structural complexity measures, which demonstrate that the crystal structure of 1 is the simplest one, whereas that of 2 is the most complex in the family.

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