Hydrogen bonding in ethanol – a high pressure neutron diffraction studyNeutron diffractionethanolmolecular solidscrystal structurehigh pressurehydrogen bondWe have determined the high pressure structure of perdeuterated ethanol by using neutron powder diffraction in the pressure region ∼2.5–4.0 GPa and...
J. A. Saiz, E. Padro, and L. Guaardia, "Dynamics and hydrogen bonding in liquid ethanol," Molecular Physics, vol. 97, no. 7, pp. 897-905, 1999.Saiz L, Padro JA, Guardia E (1999) Dynamics and hydrogen bond- ing in liquid ethanol. Mol Phys 97(7):897-905...
Hydrogen bonding in ethanol under shear 来自 掌桥科研 喜欢 0 阅读量: 32 作者:J Petravic,J Delhommelle 摘要: We study the dependence of viscosity of ethanol on shear rate using constant volume and constant pressure nonequilibrium molecular dynamics simulations, with the emphasis of the ...
Hydrogen bonding in β-aryl ethanolsHydrogen bonding in β-aryl ethanolsIn the title compound, C31H33N3OS·C2H6O, the dihedral angle between the least-squares planes of the thiazole and mesityl rings is 77.3 (1)°. There are intramolecular N—HO hydrogen bonds and intermolecular O—HN/O and...
It was concluded that, by the presence of small amounts of organic acids, the water-ethanol hydrogen-bonding structure was strengthened, at the same time, the proton exchange between water and ethanol molecules was promoted in shochu, compared with the water-ethanol mixture. The NMR chemical ...
In this work, hydrogen-bonding interactions between apigenin and water/ethanol were investigated from a theoretical perspective using quantum chemical calculations. Two conformations of apigenin molecule were considered in this work. The following results were found. (1) For apigenin monomer, the ...
The conformational energy differences have been measured for 2,2-dichloroethanol in the neat liquid and in DMSO and H2O via Raman spectroscopy. In contrast to earlier results on 2-chloroethanol, ΔH was not markedly effected by dilution in these hydrogen bonding solvents. Spectra in the O H va...
The model is successful for molecules forming complex self-associated networks, in this case pure methanol, ethanol, and water, and the mixture 1-hexanol-SF6. In supercritical water, significant hydrogen bonding is still present despite all the thermal energy and is highly pressure- and temperature...
Alcohols dehydrate lipid membranes: An infrared study on hydrogen bonding The effects of alcohols (methanol, ethanol, and n-butanol) on the hydrogen bonding of dipalmitoylphosphatidylcholine (DPPC) were studied by Fourier-transfo... JS Chiou,PR Krishna,H Kamaya,... - 《Biochim Biophys Acta》 被...
The structure consists of an ethanol molecule hydrogen-bonded in an asymmetric bifurcated fashion to the {Pt2S2} group, with the second, disordered ethanol molecule involved in a cooperative hydrogen-bonding interaction with the oxygen of the first ethanol. Thermogravimetric analysis shows that the ...