A combined experimental and theoretical study on the formation of interstellar C3H isomers

Science

Volumn 274, Issue 5292, 1996, Pages 1508-1511

  Kaiser, R I ^a   Ochsenfeld, C ^a   Head Gordon, M ^a   Lee, Y T ^a   Suits, A G ^a  

^a NONE

Author keywords

[No Author keywords available]

Indexed keywords

ACETYLENE; CARBON; HYDROGEN;

ARTICLE; ASTRONOMY; CALCULATION; CHEMICAL ANALYSIS; COSMOS; EXPERIMENT; HYDROGEN BOND; ISOMERISM; MODEL; MOLECULAR DYNAMICS; PRIORITY JOURNAL; THEORETICAL STUDY;

ACETYLENE; ASTRONOMY; CARBON; COSMIC DUST; HYDROCARBONS; HYDROGEN; ISOMERISM;

EID: 0029806792     PISSN: 00368075     EISSN: None     Source Type: Journal    
DOI: 10.1126/science.274.5292.1508     Document Type: Article

References (34)

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15. 3H was taken from J. F. Stanton [Chem. Phys. Lett. 237, 20 (1995)].
16. 3H was taken from J. F. Stanton [Chem. Phys. Lett. 237, 20 (1995)].
17. 3H was taken from J. F. Stanton [Chem. Phys. Lett. 237, 20 (1995)].
18. 3H was taken from J. F. Stanton [Chem. Phys. Lett. 237, 20 (1995)].
19. 3H was taken from J. F. Stanton [Chem. Phys. Lett. 237, 20 (1995)].
20. 3H was taken from J. F. Stanton [Chem. Phys. Lett. 237, 20 (1995)].
21. 3H was taken from J. F. Stanton [Chem. Phys. Lett. 237, 20 (1995)].
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26. 1.
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31. In this framework, the C atom orbits the HCCH molecule prior to reaction. The HCCH molecules are treated as point masses, and therefore sterical effects do not play a role in this simple model [R. D. Levine and R. B. Bernstein, Molecular Reaction Dynanics and Chemical Reactivity (Oxford Univ. Press, Oxford, 1987)]. Therefore, any deviation from this theory indicates that the actual structure of the HCCH molecule plays a significant role.
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34. R.I.K. and C.O. are indebted to the Deutsche Forschungsgemeinschaft (DFG) for post-doctoral fellowships. C.O. thanks Prof. Jürgen Gauss, University of Mainz, Germany, and Dr. Dage Sundholm, University of Helsinki, Finland, for assistance in using the ACES II program system and providing a DEC version of this package. We gratefully acknowledge useful comments in reading this manuscript from J. Gauss (University of Mainz, Germany) and P. Casavecchia (University of Perugia, Italy). This work was supported by the Director, Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division of the U. S. Department of Energy under contract DE-AC03-76SF00098.