A combined experimental and computational study on the reaction dynamics of the 1-propynyl radical (CH3CC; X2A1) with ethylene (H2CCH2; X1A1g) and the formation of 1-penten-3-yne (CH2CHCCCH3; X1A′)-Reference-Cited by-同舟云学术

A combined experimental and computational study on the reaction dynamics of the 1-propynyl radical (CH3CC; X2A1) with ethylene (H2CCH2; X1A1g) and the formation of 1-penten-3-yne (CH2CHCCCH3; X1A′)

Published:2019 Issue:40 Volume:21 Page:22308-22319
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

He Chao¹²³⁴,Zhao Long¹²³⁴,Thomas Aaron M.¹²³⁴^ORCID,Galimova Galiya R.⁵⁶⁷⁴⁸,Mebel Alexander M.⁵⁶⁷⁴⁸^ORCID,Kaiser Ralf I.¹²³⁴^ORCID

Affiliation:

1. Department of Chemistry

2. University of Hawai’i at Manoa

3. Honolulu

4. USA

5. Department of Chemistry and Biochemistry

6. Florida International University

7. Miami

8. Samara National Research University

Abstract

Center-of-mass velocity flux contour maps for the reactions of 1-propynyl with ethylene for the atomic hydrogen loss leading to 1-penten-3-yne.

Funder

Basic Energy Sciences

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP04073K

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