Comment on ‘‘Mean force potential for the calcium–chloride ion pair in water’’ [J. Chem. Phys. 99, 4229 (1993)]

1995 ◽  
Vol 102 (8) ◽  
pp. 3483-3484 ◽  
Author(s):  
Liem X. Dang ◽  
David E. Smith
Keyword(s):  
Calcium Chloride ◽  
Chloride Ion ◽  
Chem Phys ◽  
Ion Pair ◽  
Force Potential

Mean force potential for the calcium–chloride ion pair in water

1993 ◽  
Vol 99 (5) ◽  
pp. 4229-4230 ◽  
Author(s):  
E. Guàrdia ◽  
A. Robinson ◽  
J. A. Padró
Keyword(s):  
Calcium Chloride ◽  
Chloride Ion ◽  
Ion Pair ◽  
Force Potential

Solvation structure of a sodium chloride ion pair in water

1986 ◽  
Vol 108 (8) ◽  
pp. 1755-1761 ◽  
Author(s):  
Alan C. Belch ◽  
Max. Berkowitz ◽  
J. A. McCammon
Keyword(s):  
Sodium Chloride ◽  
Chloride Ion ◽  
Ion Pair ◽  
Solvation Structure

scholarly journals 5-Acetyl-4-(3-hydroxyphenyl)-6-methyl-1,2,3,4-tetrahydropyrimidin-2-one–tris(hydroxymethyl)ammonium chloride (2/1)

2013 ◽  
Vol 69 (12) ◽  
pp. o1766-o1767 ◽  
Author(s):  
C. A. M. A. Huq ◽  
S. Fouzia ◽  
M. NizamMohideen
Keyword(s):  
Hydrogen Bonds ◽  
Ammonium Chloride ◽  
Three Dimensional ◽  
Chloride Ion ◽  
Chair Conformation ◽  
Pyrimidine Ring ◽  
Pyrimidine Derivative ◽  
Ion Pair ◽  
Framework Structure ◽  
Pyrimidine Derivatives

The asymmetric unit of the title compound, 2C13H14N2O3·C3H10NO3+·Cl−, contains two independent molecules (AandB) of the title pyrimidine derivative and one ion-pair of tris(hydroxymethyl)ammonium chloride. The pyrimidine ring in each pyrimidine derivative has a half-chair conformation. Its mean plane is inclined to the benzene ring by 87.2 (3)° in moleculeAand 85.7 (2)° in moleculeB. In the crystal, the pyrimidine derivatives are connected to each other by N—H...O hydrogen bonds, forming chains propagating along theb-axis direction. The chains are linkedviaO—H—Cl hydrogen bonds, forming corrugated sheets lying parallel to thebcplane. The sheets are linkedviaC—H...O hydrogen bonds, forming a three-dimensional framework. The tris(hydroxymethyl)ammonium chloride molecules are located in the cages of the framework. There are also further C—H...O hydrogen bonds and C—H...π interactions present in the three-dimensional framework structure. Both the cation and chloride anion of the tris(hydroxymethyl)ammonium chloride ion pair are disordered over two positions, with a refined occupancy ratio of 0.418 (8):0.582 (8) for the cation and 0.71 (4):0.29 (4) for the anion.

Protodemercuration of organomercuric chlorides. II. Heterocyclic mercuric chlorides

1965 ◽  
Vol 18 (10) ◽  
pp. 1513 ◽  
Author(s):  
RD Brown ◽  
AS Buchanan ◽  
AA Humffray
Keyword(s):  
Chloride Ion ◽  
Ion Pair ◽  
Zero Order ◽  
Hydrogen Ion ◽  
First Order ◽  
Entropy Effects ◽  
Kinetics Of ◽  
Complex Anions ◽  
Dominant Influence ◽  
Electron Effects

The kinetics of protodemercuration, or displacement of the HgCl group by hydrogen, have been measured for 2- and 3-furyl, 2-thienyl, and 2-selenophenylmercuric chlorides. The reactions of these compounds with aqueous alcoholic hydrochloric acid were first order in hydrogen ion, first order in RHgC1, and zero order in chloride ion, when the latter was present at concentrations less than 0.1M. At 70�, the relative rates were: 3-furyl, 1; 2-furyl, 27; 2-thienyl, 11; 2-seleno- phenyl, 25. At higher chloride concentrations, the rate increases; this is discussed in terms of formation of complex anions of the type RHgCl32- and in terms of H+Cl- ion pair attack. The dominant influence of entropy effects in the case of furan compounds emphasizes the danger of trying to account for observed relative rates in terms of π-electron effects alone.

Uncovering the microscopic mechanism of incorporating Mn2+ ions into CsPbCl3 crystal lattice

2019 ◽  
Vol 7 (36) ◽  
pp. 11177-11183 ◽  
Author(s):  
Jienan Xia ◽  
Song Lu ◽  
Lei Lei ◽  
Youjie Hua ◽  
Shiqing Xu
Keyword(s):  
Crystal Lattice ◽  
Dft Calculation ◽  
Chloride Ion ◽  
Ion Pair ◽  
Ion Concentration ◽  
Microscopic Mechanism ◽  
Synthetic Strategy ◽  
Vacancy Pair ◽  
Subsequent Incorporation

Based on a four-precursor synthetic strategy and DFT calculation, we verify that excessive chloride ion concentration benefits the formation of bond [Pb⋯Cl] vacancy pair as well as the subsequent incorporation of [Mn⋯Cl] ion pair.

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