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Abnormal Relaxation Of Hydrogen Bonding Network In Hydrogen Peroxide And Acid/Aldehyde Solutions

Posted on:2019-02-20Degree:MasterType:Thesis
Country:ChinaCandidate:J S ChenFull Text:PDF
GTID:2371330548978399Subject:Materials engineering
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Hydrogen peroxide,acids and aldehydes can be found everywhere in our daily life.Hydrogen peroxide can be used as a disinfectant for disinfection and sterilization;In process of decoration,exceeding content of aldehydes will increase the risk of carcinogenesis;acid is an essential solution for various experiments.They differ from each other in compositions and effects,but they can all be dissolved in water as solute to change the hydrogen bond network thus to realize their respective functions.It is necessary to find out the common law that how these solutes affect the hydrogen-bonding network.If we can make it clear that what's the unusual relaxation and commonality mechanism of hydrogen peroxide,acid and aldehyde's hydrogen bonding networks,we can understand,even modulate their effects and further promote it to other solution systems.This paper starts from the hydrogen bond asymmetric relaxation model and uses the methods of Raman phononometric spectroscopy and contact angle measurements to characterize the common mechanism and laws of hydrogen peroxide,acid and aldehyde's effects on hydrogen bonding in water.These solutes' dissolving in water actually introduces ion or electron local electric fields.Based on the hydrogen bond O:H—O model,a theoretical model of point compression source,local electric field and polarization is proposed.The Raman spectra and droplet contact angles of hydrogen peroxide,acid and aldehyde solutions at different concentrations were measured,on the guide of the Raman differential phonon method,the qualitative information of hydrogen bond relaxation and molecular dynamics in the hydration shell of hydrogen peroxide,acid and aldehyde solution was analyzed.The main findings of the paper are as follows:(1)The addition of hydrogen peroxide solute destroys the 2N conservation rule of the hydrogen bonding system and forms a superhydrogen bond(O:(?):O).As point sources of compression,super-hydrogen bonds compress the surrounding hydrogen bonds to make weak non-bonds shorter and stronger,and under the modulation of Coulomb repulsion between O—O,the covalent bonds become longer and weaker,thus the high frequency phonon spectrum shifts to red,low frequency shifts to blue.Since the shrinkage of non-bonds is greater than that of covalent bonds,the overall hydrogen bond shortens.At the same time,the polarization increases the surface tension of hydrogen peroxide droplets and increases the contact angle.(2)Hydrogen protons in formic acid/acetic acid/propionic acid solute are more than lone pair electrons,so antihydrogen bonds(H(?)H)are formed which may cause hydrogen embrittlement,making the surface tension smaller by destroying the hydrogen bond network.At the same time,hydrogen protons and lone pairs of electrons form local electric field polar bonds from the two ends of the solute molecules,so that the non-bonds are red-shifted and the covalent bonds are blue-shifted.(3)Due to the sp3 orbital hybridization of C and O,two of Formaldehyde,acetaldehyde and propanal solute molecules combine together to form an asymmetrical structure.Hydrogen protons and lone pairs of electrons gather at the two ends of the molecule to form a local electric field,making nonbonding red-shifted,covalently bond blue-shifted.(4)Spectral and contact angle test results show that the addition of a solute destroys the original 2N conservation rule of hydrogen bonds and forms super-hydrogen bonds,anti-hydrogen bonds,ion or electron localized fields and other supernormal hydrogen bonds,thereby modulate hydrogen-bond relaxation,exhibit Raman shifts and change surface tension.
Keywords/Search Tags:Supernormal hydrogen bonding, Local electric field, Raman spectrum, Contact angle, Raman difference phonon spectrum
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