"Reaction Dynamics Of Propargyl + <span Class=""roman"">nh</span><sub><span Class=""roman"">2</span></sub> Probed Using Chirped Pulse Rotational Spectroscopy In A Pulsed Quasi-uniform Flow (cpuf)"
Gurusinghe, Ranil
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5473.pdf
WC12_5473.pdf
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https://hdl.handle.net/2142/111274
Description
Title
"Reaction Dynamics Of Propargyl + nh2 Probed Using Chirped Pulse Rotational Spectroscopy In A Pulsed Quasi-uniform Flow (cpuf)"
Author(s)
Gurusinghe, Ranil
Contributor(s)
Suits, Arthur
Mebel, Alexander M
Dias, Nureshan
Issue Date
2021-06-23
Keyword(s)
Dynamics and kinetics
Date of Ingest
2021-09-24T21:09:25Z
2022-01-21T16:10:29Z
Abstract
Reaction dynamics of the radical-radical reaction between the resonantly-stabilized propargyl radical with \chem{NH_2} and \chem{ND_2} were investigated using chirped-pulse rotational spectroscopy in a pulsed quasi-uniform flow. Propargyl, \chem{NH_2}, and \chem{ND_2} radicals were produced by UV photodissociation of a mixture of propargyl bromide and ammonia in a low-temperature, helium Laval flow. The reaction products, \chem{HCN}, \chem{HNC}, \chem{HC_3N}, \chem{DCN}, \chem{DNC}, and \chem{DC_3N}, were simultaneously identified using their vibrational ground state rotational spectra in the 70 – 92 GHz region and product branching ratios were calculated. A theoretical analysis using RRKM calculations on an ab initio potential surface revealed diverse and complex reaction pathways and mechanisms that lead to the observed reaction products.
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5473.pdf
WC12_5473.pdf