کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5416833 | 1506922 | 2009 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Collision-induced rotational excitation of SiH+ by He atom at low temperatures
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
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چکیده انگلیسی
Using the Coupled Cluster with Single and Double and Perturbative Triple excitations method and the aug-cc-pVQZ basis set, we have computed a two-dimensional potential energy surface for the van der Waals complex SiH+(X1Σ+) + He(1S). Bond functions were placed at mid-distance between the center of mass of SiH+ and He atom for a better description of the intersystem correlation interaction energy. The potential energy surface presents a global minimum of â¼308 cmâ1 below the SiH+-He dissociation limit. By fitting the potential energy surface on a basis of Legendre polynomials functions, we have derived collisional excitation cross sections for the SiH+ collisions with He in the Close Coupling approach. Downward rate coefficients are inferred at low temperature by averaging the cross sections over a Maxwell-Boltzmann velocity distribution. A propensity towards ÎJ even parity transitions is observed in almost the entire range of energy spanned. It is expected that the data worked out in this study may enhanced further astrophysical investigations as well as laboratory experiments.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 901, Issues 1â3, 15 May 2009, Pages 220-225
Journal: Journal of Molecular Structure: THEOCHEM - Volume 901, Issues 1â3, 15 May 2009, Pages 220-225
نویسندگان
C. Nkem, K. Hammami, A. Manga, L.C. Owono Owono, N. Jaidane, Z. Ben Lakhdar,