Liquid ammonia: Molecular correlation functions from x‐ray diffraction

1977 ◽  
Vol 66 (7) ◽  
pp. 3117-3120 ◽  
Author(s):  
A. H. Narten
Keyword(s):  
Correlation Functions ◽  
Liquid Ammonia ◽  
X Ray Diffraction ◽  
X Ray ◽  
Molecular Correlation

Preparation, properties and structure of some intermediate nido- and arachno-monocarbaboranes

1981 ◽  
Vol 46 (10) ◽  
pp. 2345-2353 ◽  
Author(s):  
Karel Baše ◽  
Bohumil Štíbr ◽  
Jiří Dolanský ◽  
Josef Duben
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Nmr Spectra ◽  
Liquid Ammonia ◽  
X Ray Diffraction ◽  
X Ray ◽  
H Nmr ◽  
Starting Compound

The 6-N(CH3)3-6-CB9H11 carbaborane reacts with sodium in liquid ammonia with the formation of 6-CB9H12- which was used as a starting compound for preparing the 4-CB8H14, 9-L-6-CB9H13 (L = (CH3)2S, CH3CN and P(C6H5)3), 1-(η5-C5H5)-1,2-FeCB9H10-, and 2,3-(η5-C5H5)2-2,31-Co2CB9H10- carboranes. The 4-CB8H14 compound was dehydrogenated at 623 K to give 4-(7)-CB8H12 carborane. Base degradation of 6-N(CH3)3-6-CB9H11 in methanol resulted in the formation of 3,4-μ-N(CH3)3CH-B5H10. The structure of all compounds was proposed on the basis of their 11B and 1H NMR spectra and X-ray diffraction was used in the case of the transition metal complexes.

X-Ray Investigations on Molten Cu-Sb Alloys

1994 ◽  
Vol 49 (4-5) ◽  
pp. 530-534 ◽  
Author(s):  
Th. Halm ◽  
H. Neumann ◽  
W. Hoyer
Keyword(s):  
Electronic Properties ◽  
Structure Factor ◽  
Correlation Functions ◽  
Pair Correlation ◽  
Model Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Structure Factors ◽  
Diffraction Structure ◽  
Eutectic Concentration

Abstract Using X-ray diffraction, structure factors and pair correlation functions of several molten Cu-Sb alloys and pure antimony were determined and compared with published structural, thermodynamic and electronic properties. The eutectic concentration Cu37Sb63 was investigated in dependence on temperature, and a model structure factor was calculated applying a segregation model.

X-ray Diffraction Study of Aqueous Solutions of ZnSO4

1982 ◽  
Vol 37 (10) ◽  
pp. 1205-1210 ◽  
Author(s):  
G. Licheri ◽  
G. Paschina ◽  
G. Piccaluga ◽  
G. Pinna
Keyword(s):  
Aqueous Solutions ◽  
Diffraction Study ◽  
Correlation Functions ◽  
Structural Parameters ◽  
Hydration Shell ◽  
Concentration Effect ◽  
X Ray Diffraction ◽  
X Ray ◽  
Hydration Shells

Five aqueous solutions of ZnSO4 of concentrations ranging from 0.6M to 3.1 M were examined by X-ray diffraction. In the correlation functions no concentration effect on structural phenomena is detectable. The same model was then successfuly used for all cases, attributing two hydration shells to Zn2+ and one hydration shell to SO42+ . The reliability of the structural parameters obtained is discussed.

scholarly journals [UO2(NH3)5]Br2·NH3: synthesis, crystal structure, and speciation in liquid ammonia solution by first-principles molecular dynamics simulations

2015 ◽  
Vol 44 (16) ◽  
pp. 7332-7337 ◽  
Author(s):  
Patrick Woidy ◽  
Michael Bühl ◽  
Florian Kraus
Keyword(s):  
Crystal Structure ◽  
Molecular Dynamics ◽  
Bond Strength ◽  
Molecular Dynamics Simulations ◽  
First Principles ◽  
Liquid Ammonia ◽  
Ammonia Solution ◽  
X Ray Diffraction ◽  
X Ray ◽  
Dynamics Simulations

X-Ray diffraction and Car–Parrinello molecular dynamics simulations furnish insights into the speciation of uranyl(vi) in liquid ammonia, calling special attention to the effect of solvation on the U–N bond length and bond strength.

X-Ray Diffraction with Molten AuxMn100-x-Alloys

1995 ◽  
Vol 50 (9) ◽  
pp. 831-836
Author(s):  
R. M. Hagenmayer ◽  
P. Lamparter ◽  
S. Steeb
Keyword(s):  
Correlation Functions ◽  
Short Range ◽  
Short Range Order ◽  
Pair Correlation ◽  
Diffraction Method ◽  
X Ray Diffraction ◽  
Pair Correlation Functions ◽  
X Ray ◽  
Structure Factors ◽  
Total Structure

Abstract The molten alloys Au28.5Mn71.5 and Au68Mn32 are investigated with the energy dispersive X-ray diffraction method which works rather fast so that the evaporation loss of Mn from the molten alloys is kept low. From the observed prepeak follows that both melts are compound-forming but the gold rich melt Au68Mn32 shows only 50% of the short range order existent within the Au28.5Mn71.5 melt. Total structure factors and total pair correlation functions are discussed.

Synthesis, Characterization, and Chemistry of Dimethyl Sulfide Derivatives of closo-B10H102-

2002 ◽  
Vol 67 (7) ◽  
pp. 1007-1024 ◽  
Author(s):  
Heather D. Hall ◽  
Bradley D. Ulrich ◽  
Roman G. Kultyshev ◽  
Jianping Liu ◽  
Shengming Liu ◽  
...  
Keyword(s):  
Alkali Metal ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
Liquid Ammonia ◽  
Dimethyl Sulfide ◽  
X Ray Diffraction ◽  
Chiral Column ◽  
X Ray ◽  
Derivatives Of

The reaction of Cs2[B10H10] with DMSO in acid produces the disubstituted 1,10-, 1,6-, and 2,7(8)-isomers of (Me2S)2B10H8 as well as the monosubstituted [(Me2S)B10H9]- anion. Through a modified procedure, the trisubstituted compound 1,10-(Me2S)2-2-(MeS)B10H7 was prepared and characterized. The 1,10-(Me2S)2B10H8 isomer was converted to the enantiomers 2,7-(Me2S)2B10H8 and 2,8-(Me2S)2B10H8 which were separated on a chiral column. The 1,6-(Me2S)2B10H8 isomer was converted to a mixture of 1,10-(Me2S)2B10H8 and 2,3-(Me2S)2B10H8. These polyhedral rearrangements are believed to occur through the diamond-square-diamond mechanism. The 1,6- and 1,10-(Me2S)2B10H8 isomers were reduced with alkali metal in liquid ammonia to produce the dianions [1,6-(MeS)2B10H8]2- and [1,10-(MeS)2B10H8]2-, respectively. Sodium ethanethiolate was used for the reduction of [1-(Me2S)B10H9]- and 1,10-(Me2S)2B10H8 to form [1-(MeS)B10H9]2- and [1-(MeS)-10-(Me2S)B10H8]-, respectively. The structures of 1,10-(Me2S)2B10H8, 1,6-(Me2S)2B10H8, 2,8-(Me2S)2B10H8, 2,3-(Me2S)2B10H8, 1,10-(Me2S)2-2-(MeS)B10H7, [1-(MeS)-10-(Me2S)B10H8]-, and [1,6-(MeS)2B10H8]2- were determined by single-crystal X-ray diffraction analysis.

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