ChemInform Abstract: Light-Induced Structural Changes in (HgBr2)3(As4S4)2: An X-Ray Single-Crystal Diffraction, Raman Spectroscopy and ab initio Study.

ChemInform ◽  
2013 ◽  
Vol 44 (44) ◽  
pp. no-no
Author(s):  
M. Zoppi ◽  
L. Bindi ◽  
T. Roedl ◽  
F. Pielnhofer ◽  
R. Weihrich ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Single Crystal ◽  
Ab Initio ◽  
Structural Changes ◽  
Ab Initio Study ◽  
Single Crystal Diffraction ◽  
X Ray

A remark on ab initio indexing of electron backscatter diffraction patterns

2021 ◽  
Vol 54 (6) ◽  
Author(s):  
Adam Morawiec
Keyword(s):  
Single Crystal ◽  
Ab Initio ◽  
Diffraction Data ◽  
Electron Backscatter Diffraction ◽  
Single Crystal Diffraction ◽  
X Ray ◽  
Electron Backscatter ◽  
Diffraction Patterns ◽  
Backscatter Diffraction

There is a growing interest in ab initio indexing of electron backscatter diffraction (EBSD) patterns. The methods of solving the problem are presented as innovative. The purpose of this note is to point out that ab initio EBSD indexing belongs to the field of indexing single-crystal diffraction data, and it is solved on the same principles as indexing of patterns of other types. It is shown that reasonably accurate EBSD-based data can be indexed by programs designed for X-ray data.

Ba9[NbN4]2O[Cn2] – Synthesis, Crystal Structure and Raman Spectrum

2003 ◽  
Vol 58 (1) ◽  
pp. 201-204 ◽  
Author(s):  
Olaf Reckeweg ◽  
Francis J. DiSalvo
Keyword(s):  
Crystal Structure ◽  
Raman Spectroscopy ◽  
Raman Spectrum ◽  
Single Crystal ◽  
Single Crystals ◽  
Title Compound ◽  
Single Crystal Diffraction ◽  
X Ray

Abstract Red transparent single crystals of Ba9[NbN4]2O[CN2] were synthesised by the reaction of BaO coated Ba metal, C and Nb powder in arc-welded Nb ampoules at 1300 K. The title compound was characterised by X-ray single crystal diffraction (P1̅ , a = 799.05(2), b = 962.61(2) and c = 1264.38(4) pm; α = 75.859(1), β = 85.745(1) and γ = 87.8621(8)°; Z = 2) and Raman spectroscopy (νsym = 1234 and δ = 632/658/668 cm−1). It now seems likely that a nitride-azide compound we previously reported, Ba9[NbN4]2N[N3], does not exist, but is in fact the title compound.

scholarly journals Environmentally Friendly Nafion-Catalyzed Synthesis of Substituted 2-Ethyl-3-Methylquinolines from Aniline and Propionaldehyde under Microwave Irradiation

Catalysts ◽  
2021 ◽  
Vol 11 (8) ◽  
pp. 877
Author(s):  
Chieh-Kai Chan ◽  
Chien-Yu Lai ◽  
Cheng-Chung Wang
Keyword(s):  
Reaction Mechanism ◽  
Microwave Irradiation ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
Environmentally Friendly ◽  
Single Crystal Diffraction ◽  
X Ray ◽  
Related Data ◽  
Heating Source ◽  
Chemical Structures

Herein, we report a facile synthetic methodology for the preparation of 2,3-dialkylquinolines from anilines and propionaldehydes. This cyclization involved environmentally friendly Nafion® NR50 as an acidic catalyst with microwave irradiation as the heating source. A series of substituted 2-ethyl-3-methylquinolines were prepared from various anilines and propionaldehyde derivatives through this protocol with good to excellent yields. Some new chemical structures were confirmed by X-ray single-crystal diffraction analysis and the related data were provided. The plausible reaction mechanism studies are also discussed.

scholarly journals Structural Diversity of Six Coordination Polymers Based on the Designed X-Shaped Ligand 1,1,1,1-Tetrakis[(3-pyridiniourea)methyl]methane

Molecules ◽  
2018 ◽  
Vol 23 (9) ◽  
pp. 2292 ◽  
Author(s):  
Qi-Long Zhang ◽  
Qing Yu ◽  
Hai-Fang Xie ◽  
Bo Tu ◽  
Hong Xu ◽  
...  
Keyword(s):  
Metal Ions ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
Coordination Polymers ◽  
Chain Complex ◽  
Structural Diversity ◽  
Structural Comparison ◽  
Single Crystal Diffraction ◽  
X Ray ◽  
Loop Chain

In this study, six coordination polymers (CPs), {[Ag2(L)(CF3SO3)]·CF3SO3·2H2O·DMF}n (1), {[Ag(L)]·SbF6·4DMF·H2O}n (2), {[Zn(L)0.5(I)2]·3.75H2O}n (3), {[Cd2(L)(I)4(H2O)(DMF)]·4H2O·3DMF}n (4), {[Hg2(L)(I)4]·H2O·4DMF}n (5) and {[Hg2(L)(Cl)4]·2H2O·3DMF}n (6), were obtained based on the designed X-shaped urea-based ligand. X-ray single crystal diffraction analysis revealed that complex 1 displayed a 3D (3,4)-connected {6·82}{64·82}-tcj net. Complex 2 featured a 2D 4-connected {43·63} sheet. Complexes 3 and 5 exhibited a 1D polymeric loop chain. Complex 4 displayed a 1D polymeric fishbone chain. Complex 6 showed a 2D 4-connected {44·62}-sql sheet. Structural comparison revealed that not only the metal ions, but also the anions played crucial roles in the control of final structures.

scholarly journals One-pot tandem cyclization of enantiopure asymmetric cis-2,5-disubstituted pyrrolidines: Facile access to chiral 10-heteroazatriquinanes

2013 ◽  
Vol 9 ◽  
pp. 265-269 ◽  
Author(s):  
Ping-An Wang ◽  
Sheng-Yong Zhang ◽  
Henri B Kagan
Keyword(s):  
Single Crystal ◽  
Diffraction Analysis ◽  
Single Crystal Diffraction ◽  
One Pot ◽  
X Ray ◽  
Tandem Cyclization

A series of chiral 10-heteroazatriquinanes were synthesized from enantiopure asymmetric cis-2,5-disubstituted pyrrolidines through a one-pot tandem cyclization procedure. The structures and configurations of these new chiral 10-heteroazatriquinanes are confirmed by X-ray single-crystal diffraction analysis.

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