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Spectroscopy and Dynamics of Intermediates Involved in the Oxidation of Saturated and Unsaturated Hydrocarbons

Chhantyal Pun, Rabi
http://rave.ohiolink.edu/etdc/view?acc_num=osu1371692377

Abstract Details

, Doctor of Philosophy, Ohio State University, Chemistry.
Oxidation of volatile organic compounds (VOC) is an important process in atmospheric and combustion chemistry. VOC consist of diff erent saturated and unsaturated hydrocarbons and other organic molecules. Diff erent 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. Di fferent experimental techniques like cavity ring down spectroscopy (CRDS) and laser induced fuorescence (LIF) spectroscopy were used to obtain spectra for the electronic transitions of diff erent 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 fi rst time for di fferent intermediates such as β-hydroxyethyl peroxy, β -fluoroethoxy and isopropoxy. Fragmentation of di fferent 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 identi ed via their rotationally resolved spectra in these experiments. Observation of these fragments were explained by analysis of di fferent reaction pathways calculated via quantum chemistry calculations.
Terry Miller (Advisor)
Anne Mccoy (Committee Member)
Barbara Wyslouzil (Committee Member)
Paul Evans (Committee Member)
Chemistry

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Citations

  • Chhantyal Pun, R. (n.d.). Spectroscopy and Dynamics of Intermediates Involved in the Oxidation of Saturated and Unsaturated Hydrocarbons [Doctoral dissertation, Ohio State University]. OhioLINK Electronic Theses and Dissertations Center. http://rave.ohiolink.edu/etdc/view?acc_num=osu1371692377

    APA Style (7th edition)

  • Chhantyal Pun, Rabi. Spectroscopy and Dynamics of Intermediates Involved in the Oxidation of Saturated and Unsaturated Hydrocarbons. Ohio State University, Doctoral dissertation. OhioLINK Electronic Theses and Dissertations Center, http://rave.ohiolink.edu/etdc/view?acc_num=osu1371692377.

    MLA Style (8th edition)

  • Chhantyal Pun, Rabi. "Spectroscopy and Dynamics of Intermediates Involved in the Oxidation of Saturated and Unsaturated Hydrocarbons." Doctoral dissertation, Ohio State University. Accessed MAY 02, 2024. http://rave.ohiolink.edu/etdc/view?acc_num=osu1371692377

    Chicago Manual of Style (17th edition)

osu1371692377
712
© , some rights reserved.Creative Commons License Spectroscopy and Dynamics of Intermediates Involved in the Oxidation of Saturated and Unsaturated Hydrocarbons by Rabi Chhantyal Pun is licensed under a Creative Commons Attribution-NonCommercial-NoDerivs 3.0 Unported License. Based on a work at etd.ohiolink.edu.
This open access ETD is published by The Ohio State University and OhioLINK.