A crossed molecular beam and ab initio study on the formation of 5- and 6-methyl-1,4-dihydronaphthalene (C11H12) via the reaction of meta-tolyl (C7H7) with 1,3-butadiene (C4H6)

Author:

Muzangwa Lloyd G.1234,Yang Tao1234,Parker Dorian S. N.1234,Kaiser Ralf. I.1234,Mebel Alexander M.5674,Jamal Adeel89104,Ryazantsev Mikhail11121314,Morokuma Keiji8910415

Affiliation:

1. Department of Chemistry

2. University of Hawaii at Manoa

3. Honolulu

4. USA

5. Department of Chemistry and Biochemistry

6. Florida International University

7. Miami

8. Department of Chemistry and Cherry L. Emerson Center for Scientific Computation

9. Emory University

10. Atlanta

11. Biomolecular NMR Laboratory

12. St. Petersburg State University

13. St. Petersburg

14. Russia

15. Fukui Institute for Fundamental Chemistry

Abstract

The crossed molecular beam reactions of the meta-tolyl radical with 1,3-butadiene and D6-1,3-butadiene were conducted at collision energies of 48.5 kJ mol−1 and 51.7 kJ mol−1.

Funder

Basic Energy Sciences

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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