Preparation and Characterization of Oxorhenium(V) Complexes with 2,2‘-Biimidazole:  The Strong Affinity of Coordinated Biimidazole for Chloride Ions via N−H···Cl-Hydrogen Bonding

2000 ◽  
Vol 39 (21) ◽  
pp. 4886-4893 ◽  
Author(s):  
Sébastien Fortin ◽  
André L. Beauchamp
Keyword(s):  
Hydrogen Bonding ◽  
Chloride Ions ◽  
Strong Affinity

A computational characterization of the hydrogen-bonding and stacking interactions of hypoxanthine

2007 ◽  
Vol 9 (4) ◽  
pp. 497-509 ◽  
Author(s):  
Lesley R. Rutledge ◽  
Craig A. Wheaton ◽  
Stacey D. Wetmore
Keyword(s):  
Hydrogen Bonding ◽  
Stacking Interactions

Hydrogen bonding. Part 29. Characterization of 14 sorbent coatings for chemical microsensors using a new solvation equation

1995 ◽  
pp. 369 ◽  
Author(s):  
Michael H. Abraham ◽  
Jenik Andonian-Haftvan ◽  
Chau My Du ◽  
Valerie Diart ◽  
Gary S. Whiting ◽  
...  
Keyword(s):  
Hydrogen Bonding

Structural Systematics of Rare Earth Complexes. VII. Crystal Structure of Bis(2,2'/6',2␛-Terpyridinium) Octaaquaterbium(III) Heptachloride Hydrate

1994 ◽  
Vol 47 (2) ◽  
pp. 391 ◽  
Author(s):  
CJ Kepert ◽  
BW Skeleton ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Rare Earth ◽  
Single Crystal ◽  
Structural Characterization ◽  
Title Compound ◽  
Room Temperature ◽  
Chloride Ions ◽  
Full Matrix ◽  
X Ray

The room-temperature single-crystal X-ray structural characterization of the title compound (tpyH2)2[Tb(OH2)8]Cl7.~2⅓H2O is recorded. Crystals are triclinic, Pī , a 17.063(5), b 16.243(3), c 7.878(3) Ǻ, α 84.78(2), β 84.39(3), γ 87.81(2)°, Z = 2 formula units; 3167 'observed' diffractometer reflections were refined by full-matrix least-squares procedures to a residual of 0.057. Notable features of interest of the compound are the 'chelation' of chloride ions by the terpyridinium cations , and the existence of a free [Tb(OH2)8]2+ cation in the presence of an abundance of chloride ions.

Competitive Chloride Chemisorption Disrupts Hydrogen Bonding Networks: DFT, Crystallography, Thermodynamics, and Morphological Consequences

CORROSION ◽  
10.5006/2555 ◽  
2017 ◽  
Vol 74 (3) ◽  
pp. 295-311 ◽  
Author(s):  
Laurence Marks
Keyword(s):  
Hydrogen Bonding ◽  
Surface Science ◽  
Density Functional ◽  
Chloride Ions ◽  
Oxide Surface ◽  
Aqueous Environment ◽  
Aqueous Corrosion ◽  
Function Change ◽  
Competing Models ◽  
Galvanic Couples

The consequence for aqueous corrosion of chloride ions in an aqueous environment on the surface structure and thermodynamics of hydroxylated magnesia (001) and alpha-alumina (001) and (100) is analyzed using density functional methods. It is shown that there is competitive chemisorption between hydroxide and chloride, with the chloride disrupting the hydrogen bonding network on the surface. There is a significant crystallographic dependence, as well as dependencies upon the environment in terms of the pH and chloride molarity. An analysis of the results in terms of existing, competing models in the literature for the effect of chloride indicates that rather than the existing models being competitors, most are correct but incomplete. Rather than the different models being viewed as competitors, or each being rate determining for some specific set of conditions, the majority are simultaneously correct. Conventional oxide surface science extrapolation of the results yields qualitative conclusions for the effects of, for instance, alloy dopants which are consistent with existing experimental data. The analysis also indicates the existence of a number of new phenomena in corrosion, for instance local galvanic couples due to the work-function change with chloride chemisorption, as well as thermodynamic dewetting of the oxide film.

Hydrogen-bonding patterns in bis[2,4,6-triazaniumylcyclohexane-1,3,5-tris(olate)-κ3O,O′,O′′]germanium(IV) tetrachloride hexahydrate

2016 ◽  
Vol 72 (1) ◽  
pp. 28-34
Author(s):  
Christian Neis ◽  
Bernd Morgenstern ◽  
Kaspar Hegetschweiler
Keyword(s):  
Hydrogen Bonding ◽  
Hydration Shell ◽  
Chloride Ions ◽  
Three Dimensions ◽  
Water Molecules ◽  
Amino Groups ◽  
Compound C ◽  
Hydrated Salt ◽  
Phd Thesis ◽  
Hydroxy Groups

A first preliminary report on the crystal structure of a hydrated salt formulated as [Ge(taci)2]Cl4·13H2O (taci is 1,3,5-triamino-1,3,5-trideoxy-cis-inositol) appeared more than 20 years ago [Ghisletta (1994). PhD thesis, ETH Zürich. Switzerland]. At that time it was not possible to discriminate unambiguously between the positions of some of the chloride ions and water O atoms, and disorder was thus postulated. In a new determination, a conclusive scheme of hydrogen bonding proves to be a particularly appealing aspect of the structure. Single crystals of the title compound, C12H30GeN6O64+·4Cl−·6H2O or [Ge(taci)2]2Cl8·12H2O, were grown from an aqueous solution by slow evaporation of the solvent. The two [Ge(taci)2]4+cations exhibit a double-adamantane-type structure with exclusive O-atom coordination and approximateD3dsymmetry. The taci ligands adopt a zwitterionic form with deprotonated hydroxy groups and protonated amino groups. Both cations are hydrogen bonded to six water molecules. The structure of the hydration shell of the two cations is, however, slightly different. The {[Ge(taci)2]·6H2O}4+aggregates are interlinked in all three dimensions by further hydrogen bonds of the types N—H...Cl...H—N, N—H...O(H)2...H—N, (Ge)O...H—O(H)...H—N, N—H...O(H)—H...Cl...H—N, (Ge)O...H—O—H...Cl...H—N, N—H...O(H)—H...Cl...H—(H)O...H—N, (Ge)O...H—O—H...Cl...H—(H)O...H—N and Ge(O)...H—O—H...Cl...H—O—H...O(Ge).

scholarly journals Quantum Chemical Characterization of Hydrogen Bonding Sites in Three 4-(4-Halo-Phenyl)-6-(Furan-2-yl) Pyrimidin-2-Amine Derivatives

2017 ◽  
Vol 05 (03) ◽  
pp. 91-102 ◽  
Author(s):  
Yafigui Traore ◽  
Kafoumba Bamba ◽  
Nahossé Ziao ◽  
Sopi Thomas Affi ◽  
Mamadou Guy-Richard Kone
Keyword(s):  
Hydrogen Bonding ◽  
Quantum Chemical ◽  
Chemical Characterization
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