•Hydrogen bond connectivities in ethanol–water mixtures, as a function of composition, are determined.•Broad range of geometric hydrogen bond definitions is covered.•Connectivities of water oxygens are ideal, whereas those of ethanol oxygens are below ideal.•Simple distance-based H-bond ...
16 September 2016 Published: 04 October 2016 Yan-Zhen Zheng1,Yu Zhou2, Qin Liang1, Da-Fu Chen1, Rui Guo1 & Rong-Cai Lai1 In this work, hydrogen-bonding interactions between apigenin and water/ethanol were investigated from a theoretical perspective using quantum chemical calculat...
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 ...
Hydrogen-bondExtractionDensity functional theoryEthanol and water are the solvents most commonly used to extract flavonoids from propolis. Do hydrogen-bonding interactions exist between flavonoids and ethanol/water? In this work, this question was......
Fluctuation, relaxations, and hydration in liquid water. Hydrogen-bond rearrangement dynamics fluctuation, relaxations, and hydration in liquid water. hydrogen-bond rearrangement dynamics I Ohmine,H Tanaka - 《Chemical Reviews》 被引量: 558发表: 1993年 Liquid Chromatography with Hydrocarbonaceous Bonded ...
The remaining series of peaks suggests a complicated interplay between water–framework and water–water interactions that lead to a broad range of H-bond strengths. Fig. 2 Experimental and Theoretical Infrared Spectra of Water in Co2Cl2BTDD. a Difference Diffuse-Reflectance IR spectra of the ...
Water is formed by which type of bond? Are hydrogen bonds formed between all molecules? What type of bond is found in an alkene? What is the hybridization of the carbon atoms in ethane? Is H2O an organic compound? A carbon atom and a hydrogen atom form what type of bond in a molecule...
Conformers and hydrogen bonds in cytidine 5′-diphosphocholine sodium single crystals grown from a mixture of ethanol and water The molecular structure of cytidine 5′-diphosphocholine sodium (CDPC) grown from a mixture of ethanol and water was determined by X-ray diffraction (XRD)... Z Du,...
lower wavenumber and become broader, i.e., the C = O group binds stronger due to different binding sites. Since the main difference between supports lies in their functional groups, the adsorption difference is due to the carbonyl group interacting with the substrate via H bond. Due to ...
As for (PhOH)2+, the infrared spectra indicate that the dimer ion is characterized as the open form, in which the phenol ion acts as a proton donor and the neutral phenol as an acceptor through their single hydrogen bond. The similar open form is also found for (PhOH−methanol)+, in...