Ultrasonic and DFT study of intermolecular association through hydrogen bonding in aqueous solutions of glycerol

Ultrasonic and spectral studies on charge transfer complexes of anisole and certain aromatic amines

“…The intermolecular interaction changes the structural arrangement of the molecules [1,2]. The study of weak interactions in liquid mixtures is helpful in understanding physical properties [3][4][5][6].…”

Theoretical Study on the Role of Surface Basicity and Lewis Acidity on the Etherification of Glycerol over Alkaline Earth Metal Oxides

“…[20] To the best of our knowledge, the interaction of glycerol with the surfaces, including alkaline earth metal oxides, has never been investigated from a theoretical point of view. Only the structure of glycerol solvated in water has been optimized with DFT calculations by Sethu Raman et al [21] Our work aims to provide a deeper understanding of the interaction of glycerol, as a representative example of a biomassderived polyalcohol, with the surfaces of alkaline earth metal oxides. For this purpose, we have investigated: a) The reactivity of glycerol with MgO, CaO, SrO and BaO; b) the optimum glycerol adsorption mode and strength of interaction with the surface; and c) the influence of surface steps on the interaction of glycerol.…”

Ultrasonic, DFT and FT-IR studies on hydrogen bonding interactions in aqueous solutions of diethylene glycol

“…As observed in Table 2, the ultrasonic velocity for the DEG solutions In aqueous DEG solutions, it is observed ( Fig. 3 and Table 2) that the through intermolecular hydrogen bonding [8,9]. (Table 2).…”

“…The more stable 219 and dominant conformation of DEG in water is Q6 the preferential way 220 for the greater association of molecules in aqueous DEG solutions. The 221 ultrasonic and DFT studies on intermolecular association through hy-222 drogen bonding in aqueous solutions of D-mannitol and glycerol[8,9] 223 have also confirmed the formation of hydrogen bonds between hydro-224 philic hydroxyl groups and water in a particular hydrated pattern of sol-225 ute molecules. In aqueous solutions of DEG, it is observed that Q7 there is a 226 steady increase of ultrasonic velocity with the increase of DEG concen-227 tration.…”

“…33 © 2014 Published by Elsevier B.V. The alcoholic cryoprotective additives (CPAs) -diol, triol and polyol 40 play an important role in effective cryopreservation [1][2][3][4][5][6][7][8][9][10]. Cryopreser-41 vation is an effective method for the long-term storage of living cells or 42 tissues at freezing temperature.…”