NMR Studies on Proton Transfer between Hydration and Solvent Water Molecules in Aqueous Solution of AlCl3

1968 ◽  
Vol 24 (3) ◽  
pp. 657-658 ◽  
Author(s):  
Akira Takahashi
Keyword(s):  
Aqueous Solution ◽  
Proton Transfer ◽  
Water Molecules ◽  
Nmr Studies ◽  
Solvent Water

The mechanism of the excited-state multiple proton transfer reaction for 3-Me-2,6-diazaindole in aqueous solution

2018 ◽  
Vol 5 (18) ◽  
pp. 2749-2753 ◽  
Author(s):  
Jin-Dou Huang ◽  
Huipeng Ma
Keyword(s):  
Aqueous Solution ◽  
Excited State ◽  
Potential Energy ◽  
Proton Transfer ◽  
Transfer Reaction ◽  
Proton Transfer Reaction ◽  
Potential Energy Curves ◽  
Water Molecules

The potential energy curves show that(2,6-aza)Indin aqueous solution undergoes a quadruple-proton transfer reaction with the assistance of three water molecules.

Poly[[diaquabis(μ4-benzene-1,3-dicarboxylato)(μ3-benzene-1,3-dicarboxylato)dierbium(III)] monohydrate]

2007 ◽  
Vol 63 (11) ◽  
pp. m2826-m2827
Author(s):  
Wen-Dong Song ◽  
De-Yun Ma ◽  
Chao-Hua Zhang
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Hydrothermal Reaction ◽  
Three Dimensional ◽  
The Other ◽  
Water Molecules ◽  
Bridging Ligands ◽  
Solvent Water ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network

The title erbium coordination polymer, {[Er2(C8H4O4)3(H2O)2]·H2O} n , was obtained by the hydrothermal reaction of ErCl3 with benzene-1,3-dicarboxylic acid (1,3-BDC) in alkaline aqueous solution. Each of the two crystallographically independent ErIII ions is seven-coordinate and has a distorted pentagonal–bipyramidal geometry. One Er centre is coordinated by seven O atoms from six 1,3-BDC ligands and the other Er centre is surrounded by five O atoms from five 1,3-BDC ligands and two water molecules. The bridging ligands, which have two different coordination modes, link the metal centres to form a three-dimensional network with channels parallel to the b axis in which solvent water molecules are located. The crystal structure is stabilized by intra- and intermolecular O—H...O hydrogen-bonding interactions. One benzene ring and the solvent water molecule are independently disordered over two positions each, with occupancy ratios of 0.595 (2):0.405 (2) and 0.661 (1):0.339 (1), respectively.

scholarly journals Three-dimensional hydrogen-bonded structures in the hydrated proton-transfer salts of isonipecotamide with the dicarboxylic oxalic and adipic acid homologues

2013 ◽  
Vol 69 (10) ◽  
pp. 1192-1195
Author(s):  
Graham Smith ◽  
Urs D. Wermuth
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Proton Transfer ◽  
Adipic Acid ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Water Molecules ◽  
Solvent Water ◽  
Hydrated Proton ◽  
Hydrogen Bonded

The structures of the 1:1 hydrated proton-transfer compounds of isonipecotamide (piperidine-4-carboxamide) with oxalic acid, 4-carbamoylpiperidinium hydrogen oxalate dihydrate, C6H13N2O+·C2HO4−·2H2O, (I), and with adipic acid, bis(4-carbamoylpiperidinium) adipate dihydrate, 2C6H13N2O+·C6H8O42−·2H2O, (II), are three-dimensional hydrogen-bonded constructs involving several different types of enlarged water-bridged cyclic associations. In the structure of (I), the oxalate monoanions give head-to-tail carboxylic acid O—H...Ocarboxylhydrogen-bonding interactions, formingC(5) chain substructures which extend alonga. The isonipecotamide cations also give parallel chain substructures through amide N—H...O hydrogen bonds, the chains being linked acrossband downcby alternating water bridges involving both carboxyl and amide O-atom acceptors and amide and piperidinium N—H...Ocarboxylhydrogen bonds, generating cyclicR43(10) andR32(11) motifs. In the structure of (II), the asymmetric unit comprises a piperidinium cation, half an adipate dianion, which lies across a crystallographic inversion centre, and a solvent water molecule. In the crystal structure, the two inversion-related cations are interlinked through the two water molecules, which act as acceptors in dual amide N—H...Owaterhydrogen bonds, to give a cyclicR42(8) association which is conjoined with anR44(12) motif. Further N—H...Owater, water O—H...Oamideand piperidinium N—H...Ocarboxylhydrogen bonds give the overall three-dimensional structure. The structures reported here further demonstrate the utility of the isonipecotamide cation as a synthon for the generation of stable hydrogen-bonded structures. The presence of solvent water molecules in these structures is largely responsible for the non-occurrence of the common hydrogen-bonded amide–amide dimer, promoting instead various expanded cyclic hydrogen-bonding motifs.

scholarly journals Bis(2,4,6-triamino-1,3,5-triazin-1-ium) 2-[bis(carboxylatomethyl)azaniumyl]acetate trihydrate

2013 ◽  
Vol 69 (11) ◽  
pp. o1674-o1675 ◽  
Author(s):  
Kreshnik Hoxha ◽  
Timothy J. Prior
Keyword(s):  
Aqueous Solution ◽  
Hydrogen Bonds ◽  
Proton Transfer ◽  
Title Compound ◽  
Three Dimensional ◽  
Nitrilotriacetic Acid ◽  
Water Molecules ◽  
Lattice Water ◽  
Acetate Trihydrate ◽  
Direct Lattice

The title compound, 2C3H7N6+·C6H7NO62−·3H2O, was obtained by mixing melamine and nitrilotriacetic acid in aqueous solution. There is proton transfer from the nitrilotriacteic acid to melamine to produce two melaminium cations and an internal proton transfer to generate the [HN(CH2COO)]2−zwitterion. The melaminium cations are arranged in hydrogen-bonded tapes formed by N—H...N interactions. These tapes extend parallel to the [010] direction and are stacked parallel to theaaxis at a mean separation of 3.3559 (11) Å. Between these tapes lie the anions and lattice water molecules. Further O—H...O and N—H...O hydrogen bonds exist between the water molecules, the anions, and the melaminium cations, generating a three-dimensional array. The crystal examined was found to be twinned by a twofold rotation about the direct lattice direction [100]. The two twin components were present in the ratio 0.5918:0.4082 (14).

Structural Study of a new Compound Based on Acid 1,4-Cyclohexanedicarboxylic (1,4-CDC)

2010 ◽  
Vol 6 (1) ◽  
pp. 891-896
Author(s):  
Manel Halouani ◽  
M. Dammak ◽  
N. Audebrand ◽  
L. Ktari
Keyword(s):  
Aqueous Solution ◽  
Water Molecules ◽  
Carboxyl Group ◽  
X Ray Diffraction ◽  
Compound I ◽  
Unit Cell Parameters ◽  
Monoclinic System ◽  
X Ray ◽  
Cell Parameters ◽  
Cyclohexanedicarboxylic Acid

One nickel 1,4-cyclohexanedicarboxylate coordination polymers, Ni2 [(O10C6H4)(COO)2].2H2O  (I), was hydrothermally synthesized from an aqueous solution of Ni (NO3)2.6H2O, (1,4-CDC) (1,4-CDC = 1,4-cyclohexanedicarboxylic acid) and tetramethylammonium nitrate. Compound (I) crystallizes in the monoclinic system with the C2/m space group. The unit cell parameters are a = 20.1160 (16) Å, b = 9.9387 (10) Å, c = 6.3672 (6) Å, β = 97.007 (3) (°), V= 1263.5 (2) (Å3) and Dx= 1.751g/cm3. The refinement converged into R= 0.036 and RW = 0.092. The structure, determined by single crystal X-ray diffraction, consists of two nickel atoms Ni (1) and Ni (2). Lots of ways of which is surrounded by six oxygen atoms, a carboxyl group and two water molecules.

The interactions of gallium with various buffers and chelating agents in aqueous solution: Gallium-71 and hydrogen-1 NMR studies

1978 ◽  
Vol 8 (1) ◽  
pp. 11-19 ◽  
Author(s):  
C.H.Francis Chang ◽  
T.Phil Pitner ◽  
Robert E. Lenkinski ◽  
Jerry D. Glickson
Keyword(s):  
Aqueous Solution ◽  
Chelating Agents ◽  
Nmr Studies

scholarly journals Base-enhanced catalytic water oxidation by a carboxylate–bipyridine Ru(II) complex

2015 ◽  
Vol 112 (16) ◽  
pp. 4935-4940 ◽  
Author(s):  
Na Song ◽  
Javier J. Concepcion ◽  
Robert A. Binstead ◽  
Jennifer A. Rudd ◽  
Aaron K. Vannucci ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Proton Transfer ◽  
Water Oxidation ◽  
Proton Acceptor ◽  
Half Time ◽  
X Ray ◽  
X Ray Crystallography ◽  
Buffer Base ◽  
Electron Proton Transfer ◽  
C Nmr

In aqueous solution above pH 2.4 with 4% (vol/vol) CH3CN, the complex [RuII(bda)(isoq)2] (bda is 2,2′-bipyridine-6,6′-dicarboxylate; isoq is isoquinoline) exists as the open-arm chelate, [RuII(CO2-bpy-CO2−)(isoq)2(NCCH3)], as shown by 1H and 13C-NMR, X-ray crystallography, and pH titrations. Rates of water oxidation with the open-arm chelate are remarkably enhanced by added proton acceptor bases, as measured by cyclic voltammetry (CV). In 1.0 M PO43–, the calculated half-time for water oxidation is ∼7 μs. The key to the rate accelerations with added bases is direct involvement of the buffer base in either atom–proton transfer (APT) or concerted electron–proton transfer (EPT) pathways.

NMR studies of DNA microcapsules prepared using sonochemical methods

2015 ◽  
Vol 17 (3) ◽  
pp. 2235-2240 ◽  
Author(s):  
Irena Reytblat ◽  
Keren Keinan-Adamsky ◽  
Jordan H. Chill ◽  
Hugo E. Gottlieb ◽  
Aharon Gedanken ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Ultrasonic Irradiation ◽  
Dna Molecules ◽  
Nmr Studies

DNA molecules were recently converted using ultrasonic irradiation into microcapsules that can trap hydrophobic molecules in aqueous solution.

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.

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