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 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 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.

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.

Formalism for the determination of intermediate stress gradients using X-ray diffraction

2009 ◽  
Vol 42 (2) ◽  
pp. 192-197 ◽  
Author(s):  
Thomas Gnäupel-Herold
Keyword(s):  
Lattice Strain ◽  
Narrow Line ◽  
X Ray Diffraction ◽  
Beam Spot ◽  
Strain Measurements ◽  
One Dimensional ◽  
X Ray ◽  
Stress Gradients ◽  
Shaped Beam

A method is outlined that allows the determination of one-dimensional stress gradients at length scales greater than 0.2 mm. By using standard four-circle X-ray diffractometer equipment and simple aperture components, length resolutions down to 0.05 mm in one direction can be achieved through constant orientation of a narrow, line-shaped beam spot. Angle calculations are given for the adjustment of goniometer angles, and for the effective azimuth and tilt of the scattering vector for general angle settings in a four-circle goniometer. The latter is necessary for the computation of stresses from lattice strain measurements.

scholarly journals Hydrogen bonding in melamine compounds of amino acids

2014 ◽  
Vol 70 (a1) ◽  
pp. C534-C534
Author(s):  
Nasreddine Ghouari ◽  
Nourreedine Benali-Cherif
Keyword(s):  
Amino Acids ◽  
Hydrogen Bonding ◽  
Nitric Acid ◽  
Organic Cation ◽  
X Ray Diffraction ◽  
X Ray ◽  
Hybrid Compounds ◽  
Amino Butyric Acid ◽  
3D Network ◽  
Bonding Electron

The theme of this work is part of the study of intermolecular interactions that hold the crystal structures of hybrid compounds based sulphuric acid, nitric acid, Melamine, Diethylamine, L-(+) - glutamic acid, DL-2-amino butyric acid. The aim of this work is to enlarge our laboratory researches [1-3] and methods in synthesis of new hybrid compounds consisting in organic cation(s) and mineral anion(s). We have obtained single crystals of a few samples after several trials and we plan to synthesize and characterize these crystals by X-ray diffraction, FTIR and Raman. The crystals structures allow us to study the 3D network hydrogen bonding, electron density and collect several other informations useful in FTIR and Raman studies of these hybrid compounds.

Synthesis, IR spectrum, thermal behaviour and crystal structure of a novel one-dimensional cyano-bridged zinc(II)/nickel(II) complex

2005 ◽  
Vol 220 (1) ◽  
Author(s):  
Ahmet Karadag ◽  
Hümeyra Pasaoglu ◽  
Gökhan Kastas ◽  
Orhan Büyükgüngör
Keyword(s):  
Crystal Structure ◽  
Thermal Analysis ◽  
Coordination Polymer ◽  
Single Crystal ◽  
Ir Spectrum ◽  
Polymeric Chain ◽  
X Ray Diffraction ◽  
Bimetallic Complex ◽  
One Dimensional ◽  
X Ray

AbstractThe cyano-bridged heteronuclear coordination polymer of zinc(II)/nickel(II) has been prepared by N-(2-hydroxyethyl)-ethylendiamine (hydet-en), alternatively named 2-(2-aminoethylamino)-ethanol and characterised by IR and thermal analysis. In the bimetallic complex, the decomposition of hydet-en ligands is seen to be endothermic whereas that of the cyano ligands is found to be exothermic. The crystal structure of the complex has been determined by single-crystal X-ray diffraction. The crystal structure of the zinc(II)-nickel(II) complex consists of a one-dimensional polymeric chain –Zn(hydet-en)

Two types of Ln2Cu2 hydroxo-trimethylacetate complexes with 0D and 1D motifs: synthetic features, structural differences, and slow magnetic relaxation

2021 ◽  
Author(s):  
Anna Bovkunova ◽  
Evgeniya S. Bazhina ◽  
Igor Evstifeev ◽  
Yulia V. Nelyubina ◽  
Maxim Shmelev ◽  
...  
Keyword(s):  
Magnetic Relaxation ◽  
X Ray Diffraction ◽  
Metal Core ◽  
X Ray ◽  
Trimethylacetate Complexes ◽  
Structural Differences ◽  
Slow Magnetic Relaxation ◽  
New Compounds

Two series of heterometallic LnIII−CuII compounds containing a butterfly-like tetranuclear metal core were synthesized and characterized by X-ray diffraction and magnetometry. The structures of the new compounds were shown to...

Thermal stability and miscibility of co-evaporated methyl ammonium lead halide (MAPbX3, X = I, Br, Cl) thin films analysed by in situ X-ray diffraction

2018 ◽  
Vol 6 (24) ◽  
pp. 11496-11506 ◽  
Author(s):  
Paul Pistor ◽  
Thomas Burwig ◽  
Carlo Brzuska ◽  
Björn Weber ◽  
Wolfgang Fränzel
Keyword(s):  
Thin Films ◽  
Thermal Stability ◽  
Thermal Treatment ◽  
Phase Evolution ◽  
X Ray Diffraction ◽  
Crystalline Phases ◽  
X Ray ◽  
Subsequent Thermal Treatment ◽  
Lead Halide

We present the identification of crystalline phases by in situ X-ray diffraction during growth and monitor the phase evolution during subsequent thermal treatment of CH3NH3PbX3 (X = I, Br, Cl) perovskite thin films.

Synthese und Kristallstrukturen einiger Tetramethylstibonium-Hydrogendicarboxylate / Synthesis and Crystal Structures of Some Tetramethylstibonium Hydrogendicarboxylates

1982 ◽  
Vol 37 (11) ◽  
pp. 1393-1401 ◽  
Author(s):  
Beatrix Milewski-Mahrla ◽  
Hubert Schmidbaur
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Spectroscopic Data ◽  
Molar Ratio ◽  
Ionic Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Carboxylate Oxygen ◽  
Donor Acceptor ◽  
New Compounds

Reactions of pentamethylantimony (CH3)5Sb with carboxylic acids in the molar ratio 1:2 afford one equivalent of methane and essentially quantitative yields of crystalline tetramothylstibonium hydrogendicarboxylates. Six new compounds of this series have been synthesized using benzoic, o-phthalic, salicylic, 4-ethoxy-salicylic, oxalic, and malic acid, and characterized by analytical and spectroscopic data. An ionic structure with strong hydrogen bonds in the anionic components is proposed.The crystal structures of the hydrogen-dibenzoato (1), hydrogen-ortho-plithalato (2) and 4-ethoxy-hydrogen-salicylate (3) were determined by single crystal X-ray diffraction. The compounds can be described as having ionic lattices with some donor-acceptor inter­actions between the stibonium centers and the carboxylate oxygen atoms. The anions are characterized by strong hydrogen bonds O...H...O. Thus, the (CH3)4Sb-tetrahedron in 1 is distorted by two benzoate oxygon atoms (at 304(2) and 340(2) pin). The cation in 2 is largely undistorted and the anion has a hydrogenphthalate hydrogen bond of d(O...H...O) = 232 pm. The cation-anion contact in 3 is as short as d(Sb-O) = 289 pm rendering the Sb atom pentacoordinate.

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