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Abeysekera C, Joalland B, Ariyasingha N, et al. Product Branching in the Low Temperature Reaction of CN with Propyne by Chirped-Pulse Microwave Spectroscopy in a Uniform Supersonic Flow. J Phys Chem Lett. 2015;6(9):1599-604doi: 10.1021/acs.jpclett.5b00519.
Abeysekera, C., Joalland, B., Ariyasingha, N., Zack, L. N., Sims, I. R., Field, R. W., & Suits, A. G. (2015). Product Branching in the Low Temperature Reaction of CN with Propyne by Chirped-Pulse Microwave Spectroscopy in a Uniform Supersonic Flow. The journal of physical chemistry letters, 6(9), 1599-604. https://doi.org/10.1021/acs.jpclett.5b00519
Abeysekera, Chamara, et al. "Product Branching in the Low Temperature Reaction of CN with Propyne by Chirped-Pulse Microwave Spectroscopy in a Uniform Supersonic Flow." The journal of physical chemistry letters vol. 6,9 (2015): 1599-604. doi: https://doi.org/10.1021/acs.jpclett.5b00519
Abeysekera C, Joalland B, Ariyasingha N, Zack LN, Sims IR, Field RW, Suits AG. Product Branching in the Low Temperature Reaction of CN with Propyne by Chirped-Pulse Microwave Spectroscopy in a Uniform Supersonic Flow. J Phys Chem Lett. 2015 May 07;6(9):1599-604. doi: 10.1021/acs.jpclett.5b00519. Epub 2015 Apr 15. PMID: 26263320.
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J Phys Chem Lett. 2015 May 07;6(9):1599-604. doi: 10.1021/acs.jpclett.5b00519. Epub 2015 Apr 15.

Product Branching in the Low Temperature Reaction of CN with Propyne by Chirped-Pulse Microwave Spectroscopy in a Uniform Supersonic Flow.

The journal of physical chemistry letters

Chamara Abeysekera, Baptiste Joalland, Nuwandi Ariyasingha, Lindsay N Zack, Ian R Sims, Robert W Field, Arthur G Suits

Affiliations

  1. †Department of Chemistry, Wayne State University, 5101 Cass Avenue, Detroit, Michigan 48202, United States.
  2. ‡Institut de Physique de Rennes, UMR CNRS-UR1 6251, Université de Rennes 1, 263 Avenue du Général Leclerc, 35042, Rennes CEDEX, France.
  3. §Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States.

PMID: 26263320 DOI: 10.1021/acs.jpclett.5b00519

Abstract

A new chirped-pulse/uniform flow (CPUF) spectrometer has been developed and used to determine product branching in a multichannel reaction. With this technique, bimolecular reactions can be initiated in a cold, thermalized, high-density molecular flow and a broadband microwave spectrum acquired for all products with rotational transitions within a chosen frequency window. In this work, the CN + CH3CCH reaction was found to yield HCN via a direct H-abstraction reaction, whereas indirect addition/elimination pathways to HCCCN, CH3CCCN, and CH2CCHCN were also probed. From these observations, quantitative branching ratios were established for all products as 12(5)%, 66(4)%, 22(6)%, and 0(8)% into HCN, HCCCN, CH3CCCN, and CH2CCHCN, respectively. The values are consistent with statistical calculations based on new ab initio results at the CBS-QB3 level of theory. This work is a demonstration of CPUF as a powerful technique for quantitatively determining the branching into polyatomic products from a bimolecular reaction.

Keywords: CRESU; Laval; Reaction dynamics; Titan; cyano radical; rotational spectroscopy

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