Structure factor lineshape model gives approximate nanoscale size of polar aggregates in the ionic liquid N-methyl-N-propylpyrrolidinium bis(trifluoromethylsulfonyl)imide

2021 ◽  
Vol 23 (15) ◽  
pp. 9061-9064
Author(s):  
Ralph A. Wheeler ◽  
Emily E. Dalbey
Keyword(s):  
Ionic Liquid ◽  
Structure Factor ◽  
Title Compound ◽  
X Ray ◽  
Nanoscale Range

Fitting X-ray structure factor lineshapes from experiment or simulation quantifies the nanoscale range of charge alternation in the title compound.

[Te8][NbOCl4]2containing an infinite chain-like {[Te–Te–Te–(Te5)]2+}npolycation

2012 ◽  
Vol 68 (10) ◽  
pp. i68-i70 ◽  
Author(s):  
Claus Feldmann ◽  
Dominic Freudenmann
Keyword(s):  
Ionic Liquid ◽  
Single Crystals ◽  
Structure Analysis ◽  
Title Compound ◽  
Energy Dispersive ◽  
The Novel ◽  
X Ray Diffraction ◽  
X Ray ◽  
Edx Analysis ◽  
Lattice Symmetry

The title compound, [Te8][NbOCl4]2, was obtained as translucent black crystals by reaction of elemental tellurium, niobium(V) chloride and niobium(V) oxychloride in the ionic liquid BMImCl (BMImCl is 1-butyl-3-methylimidazolium chloride). The synthesis was performed in argon-filled glass ampoules. According to X-ray structure analysis based on single crystals, the title compound crystallizes with triclinic lattice symmetry and consists of infinite {[Te8]2+}ncations associated with pyramidal [NbOCl4]−anions. The novelcatena-octatellurium(2+) cation is composed of Te5rings that are linkedviaTe3units [Te—Te = 2.6455 (18)–2.8164 (19) Å]. The composition and purity of [Te8][NbOCl4]2were further confirmed by energy-dispersive X-ray diffraction (EDX) analysis.

The X-Ray Molecular Structure of 1-(2′,4′-Dinitrophenyl)-1,2,3-triazole and the Problem of the Orthogonal Interaction Between a 'Pyridine-Like' Nitrogen and a Nitro Group

2005 ◽  
Vol 58 (11) ◽  
pp. 817 ◽  
Author(s):  
Glenn P. A. Yap ◽  
Fernando A. Jové ◽  
Rosa M. Claramunt ◽  
Dionisia Sanz ◽  
Ibon Alkorta ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Nitro Group ◽  
Title Compound ◽  
Theoretical Calculations ◽  
X Ray

The structure of the title compound serves for a discussion about the topic of orthogonal interactions. This interaction, although weak, is important due to its peculiar geometry. Other examples from the Cambridge Crystallographic Database, together with theoretical calculations are reported.

Long lifetime phosphorescence and X-ray scintillation of chlorobismuthate hybrids incorporating ionic liquid cations

2021 ◽  
Author(s):  
Jian-Ce Jin ◽  
Yang-Peng Lin ◽  
Yi-Heng Wu ◽  
Liaokuo Gong ◽  
Nan-Nan Shen ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Room Temperature ◽  
Room Temperature Phosphorescence ◽  
X Ray ◽  
Long Lifetime

Two chlorobismuthate hybrids incorportating ionic liquid cations (ILCs) with second-level room-temperature phosphorescence (RTP) were obtained, namely [Emim]BiCl4(bp2do) (1) and [Emmim]BiCl4(bp2do) (2) (Emim = 1-ethyl-3-methylimidazolium, Emmim = 1-ethyl-2,3-dimethylimidazolium, bp2do = 2,2'-bipyridyl-1,1'-dioxide)....

scholarly journals Homopiperazine (Hexahydro-1,4-diazepine)

Molbank ◽  
10.3390/m1200 ◽  
2021 ◽  
Vol 2021 (2) ◽  
pp. M1200
Author(s):  
R. Alan Aitken ◽  
Dheirya K. Sonecha ◽  
Alexandra M. Z. Slawin
Keyword(s):  
13C Nmr ◽  
Title Compound ◽  
Coupling Constants ◽  
15N Nmr ◽  
Time Data ◽  
Nmr Spectrum ◽  
X Ray ◽  
First Time

The X-ray structure of the title compound has been determined for the first time. Data on its 1H–13C-NMR coupling constants and 15N-NMR spectrum are also given.

scholarly journals (S)-1-(Ethoxycarbonyl)ethyl(2R,5S)-2,5-dimethyl-1,3-dioxolan-4-one-2-carboxylate

Molbank ◽  
10.3390/m1178 ◽  
2021 ◽  
Vol 2021 (1) ◽  
pp. M1178
Author(s):  
R. Aitken ◽  
Oliver Haslett ◽  
Alexandra Slawin
Keyword(s):  
Lactic Acid ◽  
Title Compound ◽  
Ethyl Pyruvate ◽  
X Ray Diffraction ◽  
X Ray ◽  
Nmr Methods

The title compound was obtained in low yield in the condensation of ethyl pyruvate and lactic acid. Its structure is determined by NMR methods and x-ray diffraction and the mechanism for formation of this 1:2 adduct from the initial 1:1 adduct is considered.

Verfeinerung der Kristallstruktur von Tripalladium-di-tetrathiophospliat Pd3(PS4)2 Refinement of the Crystal Structure of Tripalladium-di-tetrathiophosphate Pda3(PS4)2

1983 ◽  
Vol 38 (4) ◽  
pp. 426-427 ◽  
Author(s):  
Arndt Simon ◽  
Karl Peters ◽  
Harry Hahn
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Title Compound ◽  
Type Structure ◽  
Tetrahedral Symmetry ◽  
X Ray ◽  
X Ray Crystallography ◽  
Planar Environment

Abstract The structure of the title compound has been determined by X-ray crystallography. The title compound is synthesized from the elements at 600 °C. Its crystal structure, derived from powder data [3] is refined by single crystal diffractometer data. The structure is trigonal (P3̅ml, α = 684.1(1), c = 724.4(1) pm); Pd2+ cations and PS43- anions form a network with an anti-Claudetite (AS2O3) type structure. The PS4 units are distinctly distorted from ideal tetrahedral symmetry. The Pd atoms have a planar environment of 4 S atoms.

scholarly journals Powder study of 3-azabicyclo[3.3.1]nonane-2,4-dione form 2

2006 ◽  
Vol 62 (7) ◽  
pp. o3046-o3048 ◽  
Author(s):  
Ashley T Hulme ◽  
Philippe Fernandes ◽  
Alastair Florence ◽  
Andrea Johnston ◽  
Kenneth Shankland
Keyword(s):  
Crystal Structure ◽  
Simulated Annealing ◽  
Hydrogen Bonds ◽  
Powder Diffraction ◽  
Title Compound ◽  
Variable Temperature ◽  
Polycrystalline Sample ◽  
Asymmetric Unit ◽  
X Ray ◽  
Compound C

A polycrystalline sample of a new polymorph of the title compound, C8H11NO2, was produced during a variable-temperature X-ray powder diffraction study. The crystal structure was solved at 1.67 Å resolution by simulated annealing from laboratory powder data collected at 250 K. Subsequent Rietveld refinement yielded an R wp of 0.070 to 1.54 Å resolution. The structure contains two molecules in the asymmetric unit, which form a C 2 2(8) chain motif via N—H...O hydrogen bonds.

The first proof of protonated anion tetrahedra in the tsumcorite-type compounds

2004 ◽  
Vol 68 (5) ◽  
pp. 757-767 ◽  
Author(s):  
T. Mihajlović ◽  
H. Effenberger
Keyword(s):  
Crystal Structure ◽  
Hydrothermal Synthesis ◽  
Single Crystal ◽  
Diffraction Data ◽  
Title Compound ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Hydrogen Atoms ◽  
Synthetic Compounds ◽  
X Ray

AbstractHydrothermal synthesis produced the new compound SrCo2(AsO4)(AsO3OH)(OH)(H2O). The compound belongs to the tsumcorite group (natural and synthetic compounds with the general formula M(1)M(2)2(XO4)2(H2O,OH)2; M(1)1+,2+,3+ = Na, K, Rb, Ag, NH4, Ca, Pb, Bi, Tl; M(2)2+,3+ = Al, Mn3+, Fe3+, Co, Ni, Cu, Zn; and X5+,6+ = P, As, V, S, Se, Mo). It represents (1) the first Sr member, (2) the until now unknown [7]-coordination for the M(1) position, (3) the first proof of (partially) protonated arsenate groups in this group of compounds, and (4) a new structure variant.The crystal structure of the title compound was determined using single-crystal X-ray diffraction data. The compound is monoclinic, space group P21/a, with a = 9.139(2), b = 12.829(3), c = 7.522(2) Å, β = 114.33(3)°, V = 803.6(3) Å3, Z = 4 [wR2 = 0.065 for 3530 unique reflections]. The hydrogen atoms were located experimentally.

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