Characterization of the dynamics of unimolecular reaction of hydrazoic acid and hydrogen peroxide

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dc.contributor.advisorHutchinson, John S.en_US
dc.creatorJulien, Veroniqueen_US
dc.date.accessioned2009-06-04T00:28:26Zen_US
dc.date.available2009-06-04T00:28:26Zen_US
dc.date.issued1993en_US
dc.description.abstractStudies of intramolecular dynamics during unimolecular reactions are important in characterizing the energy transfer into the reaction coordinate responsible for the reactive event. We investigated the dynamics and mode-mode energy transfer immediately prior to the dissociation of hydrazoic acid and hydrogen peroxide. Hydrazoic acid decomposes into NH and N$\sb2$ when energy is "deposited" in the N-H stretch of the ground electronic state molecule by a pump laser. A specific vibrational motion generates an impulsive energy transfer, which leads to a singlet-triplet transition and subsequent central N-N bond fragmentation. Hydrogen peroxide decomposes into two OH fragments following overtone excitation of an O-H stretch via a specific bending motion capable of producing an impulse of energy flow into the reaction coordinate at the time of the O-O bond dissociation. Modeling the dynamics of overtone-excited HN$\sb3$, and using an existing model for the dynamics of overtone-excited H$\sb2$O$\sb2$, respectively, we first characterize the specificity of the vibrational dynamics preceding the reaction, then establish that these dynamics are stable, that is non-chaotic, and unique in the reaction.en_US
dc.format.extent57 p.en_US
dc.format.mimetypeapplication/pdfen_US
dc.identifier.callnoThesis Chem. 1993 Julienen_US
dc.identifier.citationJulien, Veronique. "Characterization of the dynamics of unimolecular reaction of hydrazoic acid and hydrogen peroxide." (1993) Master’s Thesis, Rice University. <a href="https://hdl.handle.net/1911/13744">https://hdl.handle.net/1911/13744</a>.en_US
dc.identifier.urihttps://hdl.handle.net/1911/13744en_US
dc.language.isoengen_US
dc.rightsCopyright is held by the author, unless otherwise indicated. Permission to reuse, publish, or reproduce the work beyond the bounds of fair use or other exemptions to copyright law must be obtained from the copyright holder.en_US
dc.subjectPhysical chemistryen_US
dc.subjectMolecular physicsen_US
dc.titleCharacterization of the dynamics of unimolecular reaction of hydrazoic acid and hydrogen peroxideen_US
dc.typeThesisen_US
dc.type.materialTexten_US
thesis.degree.departmentChemistryen_US
thesis.degree.disciplineNatural Sciencesen_US
thesis.degree.grantorRice Universityen_US
thesis.degree.levelMastersen_US
thesis.degree.nameMaster of Artsen_US
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