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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
Subject(s):Dynamics and kinetics
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.
Issue Date:2021-06-23
Publisher:International Symposium on Molecular Spectroscopy
Genre:Conference Paper / Presentation
Date Available in IDEALS:2021-09-24

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