Spectroscopy and Dynamics of Intermediates Involved in the Oxidation of Saturated and Unsaturated Hydrocarbons
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2013
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ndltd-OhioLink-oai-etd.ohiolink.edu-osu13716923772021-08-03T05:24:22Z Spectroscopy and Dynamics of Intermediates Involved in the Oxidation of Saturated and Unsaturated Hydrocarbons Chhantyal Pun, Rabi Chemistry Oxidation of volatile organic compounds (VOC) is an important process in atmospheric and combustion chemistry. VOC consist of different saturated and unsaturated hydrocarbons and other organic molecules. Different intermediates like alkyl peroxy and alkoxy radicals are involved in the oxidation of VOC. Spectroscopy of these intermediates can provide information on their structures and their fate in the chemical reactions they are involved in.Different experimental techniques like cavity ring down spectroscopy (CRDS) and laser induced fuorescence (LIF) spectroscopy were used to obtain spectra for the electronic transitions of different intermediates involved in the oxidation of ethene and propane. Vibronic analyses were performed for the experimental spectra with the aid of quantum chemistry calculations. Accurate transition origin positions, excited state vibrational frequencies and rotational constants were determined for the first time for different intermediates such as β-hydroxyethyl peroxy, β-fluoroethoxy and isopropoxy.Fragmentation of different halogen (F, Cl and Br) and hydroxy substituted ethyl nitrite upon 351nm photo-dissociation was also studied as substituted ethyl nitrite are known precursor molecules for the production of substituted ethoxy radicals. Formaldehyde and vinoxy fragments were identied via their rotationally resolved spectra in these experiments. Observation of these fragments were explained by analysis of different reaction pathways calculated via quantum chemistry calculations. 2013-08-29 English text The Ohio State University / OhioLINK http://rave.ohiolink.edu/etdc/view?acc_num=osu1371692377 http://rave.ohiolink.edu/etdc/view?acc_num=osu1371692377 unrestricted This thesis or dissertation is protected by copyright: some rights reserved. It is licensed for use under a Creative Commons license. Specific terms and permissions are available from this document's record in the OhioLINK ETD Center. |
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NDLTD |
| language |
English |
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NDLTD |
| topic |
Chemistry |
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Chemistry Chhantyal Pun, Rabi Spectroscopy and Dynamics of Intermediates Involved in the Oxidation of Saturated and Unsaturated Hydrocarbons |
| author |
Chhantyal Pun, Rabi |
| author_facet |
Chhantyal Pun, Rabi |
| author_sort |
Chhantyal Pun, Rabi |
| title |
Spectroscopy and Dynamics of Intermediates Involved in the Oxidation of Saturated and Unsaturated Hydrocarbons |
| title_short |
Spectroscopy and Dynamics of Intermediates Involved in the Oxidation of Saturated and Unsaturated Hydrocarbons |
| title_full |
Spectroscopy and Dynamics of Intermediates Involved in the Oxidation of Saturated and Unsaturated Hydrocarbons |
| title_fullStr |
Spectroscopy and Dynamics of Intermediates Involved in the Oxidation of Saturated and Unsaturated Hydrocarbons |
| title_full_unstemmed |
Spectroscopy and Dynamics of Intermediates Involved in the Oxidation of Saturated and Unsaturated Hydrocarbons |
| title_sort |
spectroscopy and dynamics of intermediates involved in the oxidation of saturated and unsaturated hydrocarbons |
| publisher |
The Ohio State University / OhioLINK |
| publishDate |
2013 |
| url |
http://rave.ohiolink.edu/etdc/view?acc_num=osu1371692377 |
| work_keys_str_mv |
AT chhantyalpunrabi spectroscopyanddynamicsofintermediatesinvolvedintheoxidationofsaturatedandunsaturatedhydrocarbons |
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1719419811051601920 |