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Spectroscopy and dynamics of interme...

Chhantyal Pun, Rabi.

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Spectroscopy and dynamics of intermediates involved in the oxidation of saturated and unsaturated hydrocarbons.

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	Spectroscopy and dynamics of intermediates involved in the oxidation of saturated and unsaturated hydrocarbons./
作者:	Chhantyal Pun, Rabi.
出版者:	Ann Arbor : ProQuest Dissertations & Theses, : 2013,
面頁冊數:	215 p.
附註:	Source: Dissertations Abstracts International, Volume: 76-07, Section: B.
Contained By:	Dissertations Abstracts International76-07B.
標題:	Analytical chemistry. -
電子資源:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3673798
ISBN:	9781321514230

Spectroscopy and dynamics of intermediates involved in the oxidation of saturated and unsaturated hydrocarbons.
Chhantyal Pun, Rabi.

Spectroscopy and dynamics of intermediates involved in the oxidation of saturated and unsaturated hydrocarbons. - Ann Arbor : ProQuest Dissertations & Theses, 2013 - 215 p.

Source: Dissertations Abstracts International, Volume: 76-07, Section: B.

Thesis (Ph.D.)--The Ohio State University, 2013.

This item must not be sold to any third party vendors.

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 identified 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.

ISBN: 9781321514230Subjects--Topical Terms:

3168300
Analytical chemistry.

Spectroscopy and dynamics of intermediates involved in the oxidation of saturated and unsaturated hydrocarbons.
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520 $a 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 identified 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.
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