Rate constants for the dissociation of amine-water hydrogen bonds and the effect of nonpolar groups in aqueous solution

1967 ◽  
Vol 89 (17) ◽  
pp. 4405-4411 ◽  
Author(s):  
Ernest. Grunwald ◽  
Earle K. Ralph
Keyword(s):  
Aqueous Solution ◽  
Hydrogen Bonds ◽  
Rate Constants ◽  
Water Hydrogen

Ab initio QM/MM dynamics of anion–water hydrogen bonds in aqueous solution

2005 ◽  
Vol 403 (4-6) ◽  
pp. 314-319 ◽  
Author(s):  
Anan Tongraar ◽  
Bernd Michael Rode
Keyword(s):  
Aqueous Solution ◽  
Hydrogen Bonds ◽  
Ab Initio ◽  
Water Hydrogen

Characterization of the F−-water and Cl−-water hydrogen bonds in aqueous solution: From “interior” (I) to “surface” (S) states

2017 ◽  
Vol 248 ◽  
pp. 271-277 ◽  
Author(s):  
Pattrawan Sripa ◽  
Anan Tongraar ◽  
Teerakiat Kerdcharoen
Keyword(s):  
Aqueous Solution ◽  
Hydrogen Bonds ◽  
S States ◽  
Water Hydrogen

Characteristics of CO32−–water hydrogen bonds in aqueous solution: insights from HF/MM and B3LYP/MM MD simulations

2011 ◽  
Vol 13 (37) ◽  
pp. 16851 ◽  
Author(s):  
Anan Tongraar ◽  
Pathumwadee Yotmanee ◽  
Apirak Payaka
Keyword(s):  
Aqueous Solution ◽  
Hydrogen Bonds ◽  
Md Simulations ◽  
Water Hydrogen

Combined QM/MM MD Study of HCOO−−Water Hydrogen Bonds in Aqueous Solution

2009 ◽  
Vol 113 (13) ◽  
pp. 3291-3298 ◽  
Author(s):  
Apirak Payaka ◽  
Anan Tongraar ◽  
Bernd Michael Rode
Keyword(s):  
Aqueous Solution ◽  
Hydrogen Bonds ◽  
Water Hydrogen

QM/MM Dynamics of CH3COO−−Water Hydrogen Bonds in Aqueous Solution

2010 ◽  
Vol 114 (38) ◽  
pp. 10443-10453 ◽  
Author(s):  
Apirak Payaka ◽  
Anan Tongraar ◽  
Bernd Michael Rode
Keyword(s):  
Aqueous Solution ◽  
Hydrogen Bonds ◽  
Water Hydrogen

Critical Review of rate constants for reactions of hydrated electrons, hydrogen atoms and hydroxyl radicals (⋅OH/⋅O− in Aqueous Solution

1988 ◽  
Vol 17 (2) ◽  
pp. 513-886 ◽  
Author(s):  
George V. Buxton ◽  
Clive L. Greenstock ◽  
W. Phillips Helman ◽  
Alberta B. Ross
Keyword(s):  
Aqueous Solution ◽  
Hydroxyl Radicals ◽  
Rate Constants ◽  
Critical Review ◽  
Hydrogen Atoms ◽  
Hydrated Electrons

scholarly journals Crystal structure of the new hybrid material bis(1,4-diazoniabicyclo[2.2.2]octane) di-μ-chlorido-bis[tetrachloridobismuthate(III)] dihydrate

2015 ◽  
Vol 71 (11) ◽  
pp. 1384-1387
Author(s):  
Marwen Chouri ◽  
Habib Boughzala
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Hydrogen Bonds ◽  
Room Temperature ◽  
Molar Ratio ◽  
Water Molecules ◽  
Site Symmetry ◽  
Two Dimensional ◽  
Slow Evaporation ◽  
Solution Ph

The title compound bis(1,4-diazoniabicyclo[2.2.2]octane) di-μ-chlorido-bis[tetrachloridobismuthate(III)] dihydrate, (C6H14N2)2[Bi2Cl10]·2H2O, was obtained by slow evaporation at room temperature of a hydrochloric aqueous solution (pH = 1) containing bismuth(III) nitrate and 1,4-diazabicyclo[2.2.2]octane (DABCO) in a 1:2 molar ratio. The structure displays a two-dimensional arrangement parallel to (100) of isolated [Bi2Cl10]4−bioctahedra (site symmetry -1) separated by layers of organic 1,4-diazoniabicyclo[2.2.2]octane dications [(DABCOH2)2+] and water molecules. O—H...Cl, N—H...O and N—H...Cl hydrogen bonds lead to additional cohesion of the structure.

Ferricyanide Oxidation of Butanol Homogeneously Catalysed by Chlororuthenium Complexes

1979 ◽  
Vol 32 (9) ◽  
pp. 1905 ◽  
Author(s):  
AF Godfrey ◽  
JK Beattie
Keyword(s):  
Aqueous Solution ◽  
Complex Formation ◽  
Linear Dependence ◽  
Rate Constants ◽  
Homogeneous Catalyst ◽  
Basic Solution ◽  
Rate Law ◽  
Kinetics Of ◽  
Solution Estimates ◽  
Butanol Concentration

The oxidation of butan-1-ol by ferricyanide ion in alkaline aqueous solution is catalysed by solutions of ruthenium trichloride hydrate. The kinetics of the reaction has been reinvestigated and the data are consistent with the rate law -d[FeIII]/dt = [Ru](2k1k2 [BuOH] [FeIII])/(2k1 [BuOH]+k2 [FeIII]) This rate law is interpreted by a mechanism involving oxidation of butanol by the catalyst (k1) followed by reoxidation of the catalyst by ferricyanide (k2). The non-linear dependence of the rate on the butanol concentration is ascribed to the rate-determining, butanol-independent reoxidation of the catalyst, rather than to the saturation of complex formation between butanol and the catalyst as previously claimed. Absolute values of the rate constants could not be determined, because some of the ruthenium precipitates from basic solution. With K3RuCl6 as the source of a homogeneous catalyst solution, estimates were obtained at 30�0�C of k1 = 191. mol-1 s-1 and k2 = 1�4 × 103 l. mol-1 s-1.

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