Capture rates for collisions of C (P-3(j)) and Ge (S-1(0)) with unsaturated hydrocarbons

Citation
Rpa. Bettens et Ma. Collins, Capture rates for collisions of C (P-3(j)) and Ge (S-1(0)) with unsaturated hydrocarbons, J CHEM PHYS, 114(23), 2001, pp. 10342-10354
Citations number
21
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
114
Issue
23
Year of publication
2001
Pages
10342 - 10354
Database
ISI
SICI code
0021-9606(20010615)114:23<10342:CRFCOC>2.0.ZU;2-T
Abstract
We have calculated the capture rate coefficients for collisions of C (P-3(j )) and Ge (S-1(0)) with unsaturated hydrocarbons and compared them with the experiments of Husain and co-workers [Clary, Haider, Husain, and Kabir, As trophys. J. 422, 416 (1994); Husain, Ioannou, and Kabir, Z. Phys. Chemie 20 3, 213 (1998)]. Our findings indicate (i) that all nine electronic surfaces for the C (P-3) reactions must contribute to the observed reaction-rate co efficients, (ii) a central multipole approach is inappropriate for calculat ing the capture rate coefficients involving the-larger hydrocarbons, (iii) the trends observed in the measured rate coefficients for the Ge and C reac tions can simply be understood in terms of the physical size of the hydroca rbons, and (iv) the electrostatic interaction plays a significant role in t he determination of capture rate coefficients for reactions involving C (P- 3) and highly polar species as well as acetylene. (C) 2001 American Institu te of Physics.