The Crystal Structure of Na6[(UO2)(SO4)4](H2O)4: X-Ray and Raman Spectroscopy Study

2015 ◽  
Vol 54 (1) ◽  
pp. 5-20 ◽  
Author(s):  
Jakub Plášil ◽  
Nicolas Meisser ◽  
Jiří Čejka
Keyword(s):  
Crystal Structure ◽  
Raman Spectroscopy ◽  
Spectroscopy Study ◽  
X Ray

Molecular structure of diethylaminoalane in the solid state: an X-ray powder diffraction, DFT calculation and Raman spectroscopy study

2016 ◽  
Vol 72 (2) ◽  
pp. 232-240 ◽  
Author(s):  
Thomas Bernert ◽  
Morten B. Ley ◽  
Javier Ruiz-Fuertes ◽  
Michael Fischer ◽  
Michael Felderhoff ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Raman Spectroscopy ◽  
Dft Calculations ◽  
Powder Diffraction ◽  
Dft Calculation ◽  
Membered Ring ◽  
Monoclinic Space Group ◽  
Spectroscopy Study ◽  
X Ray

The crystal structure of diethylaminoalane, [H2Al—N(C2H5)2]2, was determined by X-ray powder diffraction in conjunction with DFT calculations. Diethylaminoalane crystallizes in the monoclinic space groupP21/cwitha= 7.4020 (2),b= 12.9663 (3),c= 7.2878 (2) Å and β = 90.660 (2)° at 293 K. The crystal structure was confirmed by DFT calculations and Raman spectroscopy. The molecular structure of diethylaminoalane consists of dimers of [H2Al—N(CH2CH3)2] in which an Al2N2four-membered ring is formed by a center of inversion. Such an arrangement of the aminoalane moieties in the crystal structure is well known for this class of compound, as shown by the comparison with ethylmethylaminoalane and diisopropylaminoalane.

scholarly journals In Situ High-Pressure X-ray Diffraction and Raman Spectroscopy Study of Ti3C2Tx MXene

2018 ◽  
Vol 13 (1) ◽  
Author(s):  
Luxi Zhang ◽  
Weitao Su ◽  
Yanwei Huang ◽  
He Li ◽  
Li Fu ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
High Pressure ◽  
Spectroscopy Study ◽  
X Ray Diffraction ◽  
X Ray

scholarly journals The preparation and characterization of SeCl3SbF6, improved syntheses of MCl3(As/Sb)F6 (M = S, Se), and the X-ray crystal structure determination of SeCl3AsF6 and a new phase of SBr3SbF6

1996 ◽  
Vol 74 (9) ◽  
pp. 1671-1681 ◽  
Author(s):  
Jack Passmore ◽  
Paul D. Boyle ◽  
Gabriele Schatte ◽  
Todd Way ◽  
T. Stanley Cameron
Keyword(s):  
Crystal Structure ◽  
Raman Spectroscopy ◽  
Crystal Structures ◽  
Monoclinic Space Group ◽  
X Ray ◽  
Ft Raman Spectroscopy ◽  
New Phase ◽  
Ft Raman

Alternative and, in some cases, improved syntheses of the salts MX3(As/Sb)F6 (M = S, Se) and SCl3(SbCl6/AlCl4) are described. In addition, the synthesis of SeCl3SbF6 is reported. The compounds were characterized by FT–Raman spectroscopy and the X-ray crystal structures of SeCl3AsF6 (also 77Se NMR) and a new phase of SBr3SbF6 were determined. Crystals of SeCl3AsF6 and SBr3SbF6 are monoclinic, space group P21/c with [values for SBr3SbF6 in brackets] a = 7.678(1) [8.137(1)] Å, b = 9.380(3) [9.583(2)] Å, c = 11.920(3) [12.447(2)] Å, β = 98.19(2)° [97.36(1)]°, V = 849.72(3) [962.6(3)] Å3,z = 4, Dx = 2.925 [3.502] Mg m−3, R = 0.0525 [0.055], and Rw = 0.0554 [0.060] for 1151 [1472] observed reflections. Key words: MX3+ salts, FT–Raman spectroscopy, X-ray crystal structures of SeCl3AsF6, SBr3SbF6, and preparation of SeCl3SbF6.

A synergic approach of X-ray powder diffraction and Raman spectroscopy for crystal structure determination of 2,3-thienoimide capped oligothiophenes

2018 ◽  
Vol 20 (5) ◽  
pp. 3630-3636 ◽  
Author(s):  
C. Cappuccino ◽  
P. P. Mazzeo ◽  
T. Salzillo ◽  
E. Venuti ◽  
A. Giunchi ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Raman Spectroscopy ◽  
Powder Diffraction ◽  
Structure Determination ◽  
Molecular Conformation ◽  
Rapid Identification ◽  
Crystal Structure Determination ◽  
X Ray

This work presents a Raman based approach for the rapid identification of the molecular conformation in a series of new 2,3-thienoimide capped quaterthiophenes.

X-Ray and Raman Investigations on Cyanides ofMono- and DivalentMetals and Synthesis, Crystal Structure and Raman Spectrum of Tl5(CO3)2(CN)

2002 ◽  
Vol 57 (8) ◽  
pp. 895-900 ◽  
Author(s):  
Olaf Reckeweg ◽  
Arndt Simon
Keyword(s):  
Crystal Structure ◽  
Raman Spectroscopy ◽  
Raman Spectrum ◽  
Single Crystal ◽  
Aqueous Ammonia ◽  
Ammonia Solution ◽  
Aqueous Ammonia Solution ◽  
Divalent Metals ◽  
X Ray ◽  
First Time

Pseudobinary cyanides of monovalent and divalent metals were synthesized, and X-ray and Raman data of the cyanides were measured. Single crystal X-ray structure analyses were performed on Zn(CN)2 (Pn3̄m (No. 224), a = 591.32(7) pm), Hg(CN)2 (I4̄2d (No. 122), a = 969.22(14) and c = 890,15(18) pm) and for the first time on AgCN (I4̄2d (No. 166), a = 600.58(8) and c = 526.28(11) pm). The data are compared with literature data. The reaction of TlF and NaCN in 25% aqueous ammonia solution in air led to Tl5(CO3)2(CN) which was characterized by X-ray (Cmca (No. 64), 1468.1(3), 1171.6(2) and 1266.0(3) pm) and Raman spectroscopy.

The Inclusion of Carbon Disulfide in p-tert-Butylcalix[4]-and [6 ]arene - A Combined Crystallographic and Vibrational Spectroscopic Study

2000 ◽  
Vol 55 (2) ◽  
pp. 213-221 ◽  
Author(s):  
Jürgen Schatz ◽  
Frank Schildbach ◽  
Axel Lentz ◽  
Sylvia Rastätter ◽  
Joachim Schilling ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Raman Spectroscopy ◽  
Carbon Disulfide ◽  
Crystal Structure Analysis ◽  
Infrared And Raman Spectra ◽  
Space Group ◽  
X Ray ◽  
Butyl Group ◽  
Tert Butyl Group ◽  
Ir And Raman

The inclusion complexes formed from carbon disulfide and p-tert-butylcalix[4]arene ( 1·CS2) or p-tert-butylcalix[6]arene (2·CS2) were investigated by X-ray crystal structure analysis, infrared (IR) and Raman spectroscopy. The complex 1·CS2 crystallises in the space group P4/n, 2·CS2 in the space group P21/n. In case of p-tert-butylcalix[4]arene as host the carbon disulfide molecule is included in the cavity. In the crystal structure of p-tert-butylcalix[ 6]arene clathrate, self-complexation of one tert-butyl group in the cavity of another calix[ 6]arene can be observed. Due to inclusion, the symmetry of CS2 is lowered both in the p-tert- butylcalix[4]arene and p-tert-butylcalix[6]arene case causing significant shifts in the fully assigned infrared and Raman spectra.

Zýkait z dolu Lehnschafter u Mikulova v Krušných horách (Česká republika) - popis a Ramanova spektroskopie

2021 ◽  
Vol 29 (2) ◽  
pp. 241-248
Author(s):  
Jiří Sejkora ◽  
Roman Gramblička
Keyword(s):  
Crystal Structure ◽  
Raman Spectroscopy ◽  
Czech Republic ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Water Molecules ◽  
Powder Diffraction Data ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters

The zýkaite samples were found at abandoned Lehnschafter mine near Mikulov in the Krušné hory Mts. (Czech Republic). It occurs as irregular white to light greenish rounded to spherical aggregates up to 1.5 cm in size composed of tiny acicular crystals up to 5 - 10 μm in length. Its empirical formula can be expressed as (Fe3.79Al0.02)Σ3.81[(AsO4)2.66(PO4)0.20(SiO4)0.07]Σ2.93 (SO4)1.07(OH)0.44·15H2O (mean of 3 spot analyzes; on the basis of As+P+S+Si = 4 apfu).Zýkaite is probably monoclinic, with the unit-cell parameters refined from X-ray powder diffraction data: a 21.195(8), b 7.052(2), c 36.518(17) Å, β 91.07(2)° and V 5458(2) Å3. Raman spectroscopy documented the presence of both (AsO4)3- and (SO4)2- units in the crystal structure of zýkaite. Multiple Raman bands connected with vibrations of water molecules and (AsO4)3- groups indicate the presence of more structurally non-equivalent these groups in the crystal stucture of zýkaite.

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