A family of hydrogen bonds in the model system salicylic acid-toluene-water: A biophysical experiment modeled on the distribution of the monomeric acid between two phases and on its dimerization in the organic phase

1993 ◽  
Vol 70 (5) ◽  
pp. 417 ◽  
Author(s):  
John D. Worley
Keyword(s):  
Salicylic Acid ◽  
Hydrogen Bonds ◽  
Organic Phase ◽  
Model System ◽  
Two Phases

Relevance of hydrogen bonded associates on the transport properties and nanoscale dynamics of liquid and supercooled 2-propanol

2021 ◽  
Author(s):  
Yanqin Zhai ◽  
Peng Luo ◽  
Michihiro Nagao ◽  
Kenji Nakajima ◽  
Tatsuya Kikuchi ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Transport Properties ◽  
Structural Relaxation ◽  
Model System ◽  
Mesoscale Structures ◽  
Nanoscale Dynamics ◽  
Hydrogen Bonded

2-propanol was investigated, in both the liquid and supercooled states, as a model system to study how hydrogen bonds affect the structural relaxation and the dynamics of mesoscale structures, of...

Cocrystals of 3,5-Dimethyl-1H-pyrazole and Salicylic Acid:  Controlled Formation of Trimers via O−H···N Hydrogen Bonds†

2007 ◽  
Vol 7 (6) ◽  
pp. 1176-1184 ◽  
Author(s):  
Concepción López ◽  
Rosa M. Claramunt ◽  
María Ángeles García ◽  
Elena Pinilla ◽  
M. Rosario Torres ◽  
...  
Keyword(s):  
Salicylic Acid ◽  
Hydrogen Bonds

The influence of hydrogen bonding on the character of N—H and C=O stretching modes in 2-thiopyrrole-1,2-dicarboximide

1984 ◽  
Vol 62 (9) ◽  
pp. 1845-1849 ◽  
Author(s):  
Shanker Ram
Keyword(s):  
Hydrogen Bonding ◽  
Transition Temperature ◽  
Solid State ◽  
Hydrogen Bonds ◽  
Spectral Data ◽  
Infrared Spectra ◽  
Cyclic Dimer ◽  
Dilute Solutions ◽  
Two Phases ◽  
Thermodynamical Functions

The infrared spectra (200–4000 cm−1) of 2-thiopyrrole-1,2-dicarboximide (TPH) in solid and solution forms have been measured as a function of temperature, and a direct correlation has been obtained between the two phases and the type and extent of hydrogen bonding. It is suggested that TPH exists as cyclic dimer in the solid state (below 310 K) and in dilute solutions by the formation of two equivalent hydrogen bonds. At the transition temperature, ~310 K, the cyclic dimer undergoes to the open-cyclic dimer and persists in this structure till 410 K. In addition, the thermodynamical functions ΔH0, and ΔS0 have been estimated using the spectral data in solution.

Intra- and intermolecular interactions in small bioactive molecules: cooperative features from experimental and theoretical charge-density analysis

2006 ◽  
Vol 62 (4) ◽  
pp. 612-626 ◽  
Author(s):  
Parthapratim Munshi ◽  
Tayur N. Guru Row
Keyword(s):  
Salicylic Acid ◽  
Hydrogen Bonds ◽  
Intermolecular Interactions ◽  
Density Functional ◽  
Theoretical Calculations ◽  
Topological Analysis ◽  
Van Der Waals Interactions ◽  
Bioactive Molecules ◽  
Topological Features ◽  
Weak Intermolecular Interactions

The topological features of the charge densities, ρ(r), of three bioactive molecules, 2-thiouracil [2,3-dihydro-2-thioxopyrimidin-4(1H)-one], cytosine [4-aminopyrimidin-2(1H)-one] monohydrate and salicylic acid (2-hydroxybenzoic acid), have been determined from high-resolution X-ray diffraction data at 90 K. The corresponding results are compared with the periodic theoretical calculations, based on theoretical structure factors, performed using DFT (density-functional theory) at the B3LYP/6-31G** level. The molecules pack in the crystal lattices via weak intermolecular interactions as well as strong hydrogen bonds. All the chemical bonds, including the intra- and intermolecular interactions in all three compounds, have been quantitatively described by topological analysis based on Bader's quantum theory of `Atoms In Molecules'. The roles of interactions such as C—H...O, C—H...S, C—H...π and π...π have been investigated quantitatively in the presence of strong hydrogen bonds such as O—H...O, N—H...O and N—H...S, based on the criteria proposed by Koch and Popelier to characterize hydrogen bonds and van der Waals interactions. The features of weak intermolecular interactions, such as S...S in 2-thiouracil, the hydrogen bonds generated from the water molecule in cytosine monohydrate and the formation of the dimer via strong hydrogen bonds in salicylic acid, are highlighted on a quantum basis. Three-dimensional electrostatic potentials over the molecular surfaces emphasize the preferable binding sites in the structure and the interaction features of the atoms in the molecules, which are crucial for drug–receptor recognition.

scholarly journals Efficient removal of Indigo dye from aqueous solution by an innovative method of emulsion liquid membrane

2019 ◽  
Vol 69 (06) ◽  
pp. 472-477
Author(s):  
QURESHI BRAJA FAHAD ◽  
QURESHI KHADIJA ◽  
KHATRI ZEESHAN ◽  
MALIK SAMANDER ALI ◽  
RAJPUT A. WAQAR ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Organic Phase ◽  
Liquid Membrane ◽  
Double Emulsion ◽  
Volume Ratio ◽  
Optimum Conditions ◽  
Emulsion Liquid Membrane ◽  
Effective Technique ◽  
Indigo Dye ◽  
Two Phases

Extraction of Indigo dye from aqueous solution is studied in this research using Emulsion Liquid Membrane (ELM). Water/Oil (W/O) emulsion was prepared by mixing aqueous phase with organic phase at an elevated homogenizing speed. H2SO4 and Hexane were used as internal stripping agent and organic diluent respectively. Monooleate Sorbitan commonly known as Span-80 was used as surfactant in organic phase. This W/O emulsion was later mixed with external feed phase containing Indigo dye to make W/O/W double emulsion. Stability of the membrane was optimized by experimenting different operating parameters. The ELM prepared under the optimum conditions was finally used to remove Indigo dye from aqueous solution. The parametric study of the process parameters affecting the extraction efficiency was also performed. Under optimum conditions of parameters like volume ratio of emulsion/feed, dye concentration in feed, stirring speed and contact time of two phases, the extraction of Indigo dye was found to be 99%. Therefore, ELM was found to be an attractive and effective technique for the removal of dyes.

scholarly journals Crystal structure of 3-bromo-2-hydroxybenzoic acid

2015 ◽  
Vol 71 (5) ◽  
pp. 531-535 ◽  
Author(s):  
Gerhard Laus ◽  
Volker Kahlenberg ◽  
Thomas Gelbrich ◽  
Sven Nerdinger ◽  
Herwig Schottenberger
Keyword(s):  
Crystal Structure ◽  
Salicylic Acid ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Title Compound ◽  
Hydroxybenzoic Acid ◽  
Compound C ◽  
Derivatives Of ◽  
Centrosymmetric Dimers ◽  
Ring Motif

Mutual carboxyl–carboxyl O—H...O hydrogen bonds link the molecules of the title compound, C7H5BrO3, into centrosymmetric dimers which display a centralR22(8) ring motif. In addition, there is an intramolecular hydroxyl–carboxyl O—H...O interaction present. A comparison with the crystal structures of 59 other substituted derivatives of salicylic acid shows that both the centrosymmetric carboxyl–carboxyl O—H...O dimer and the stacking mode of molecules along the shortaaxis observed in the title structure are frequent packing motifs in this set.

scholarly journals 4-[Bis(4-fluorophenyl)methyl]piperazin-1-ium 2-hydroxybenzoate 2-hydroxybenzoic acid monosolvate

2012 ◽  
Vol 68 (4) ◽  
pp. o1180-o1180 ◽  
Author(s):  
A. S. Dayananda ◽  
H. S. Yathirajan ◽  
Ulrich Flörke
Keyword(s):  
Hydrogen Bond ◽  
Salicylic Acid ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Hydroxybenzoic Acid ◽  
Acid Molecule ◽  
Compound C ◽  
Dimensional Network

The title compound, C17H19F2N2+·C7H5O3−·C7H6O3, is a co-crystal from 4-[bis(4-fluorophenyl)methyl]piperazin-1-ium, salicylate anion and salicylic acid in a 1:1:1 ratio. In addition to an intramolecular O—H...O hydrogen bond, the crystal packing shows hydrogen bonds between the piperazinium cation and salicylate anion (N—H...O), as well as between the salicylic acid molecule and anion (O—H...O), giving rise to a three-dimensional network.

Metal catalysis in oxidation by peroxides. 24. Extraction of aqueous peroxomolybdenum species into organic media and their reactivity

1986 ◽  
Vol 64 (6) ◽  
pp. 1189-1195 ◽  
Author(s):  
Olga Bortolini ◽  
Letanzio Bragante ◽  
Fulvio Di Furia ◽  
Giorgio Modena
Keyword(s):  
Organic Solvent ◽  
Organic Phase ◽  
Mineral Acid ◽  
Organic Media ◽  
Neutral Ligand ◽  
Peroxo Complexes ◽  
Metal Catalysis ◽  
Factors Affecting ◽  
Neutral Ligands ◽  
Two Phases

The effect of the lipophilicity and coordinating ability of neutral ligands, belonging to the classes of phosphoric amides and pyridine oxides, on the extraction of the neutral oxidants molybdenum(VI)–peroxo complexes from an aqueous acidic phase to an organic one, has been studied. The nature of the Mo(VI)–peroxo species present both in aqueous and organic phase has also been investigated. Sizable amounts of mineral acid, added to adjust pH, may be extracted into the organic phase. The various factors affecting this process such as the nature of the acid added, the organic solvent and the neutral ligand, as well as the effect of this feature on the partition of the oxidant between the two phases are briefly discussed.

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