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Rotational excitation of protonated hydrogen cyanide (HCNH+) by He atom at low temperature |
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| Authors: | Christophe Nkem Kamel Hammami Idriss Yacoub Halalaw Luc Calvin Owono Owono Nejm-Eddine Jaidane |
| Affiliation: | 1. Center for Atomic Molecular Physics and Quantum Optics, Faculty of Science, University of Douala, P.O. Box 8580, Douala, Cameroon 2. Laboratory for Atomic Molecular Spectroscopy and Applications, Department of Physics, Faculty of Science, University Tunis El Manar, Campus Universitaire 1060, Tunis, Tunisia 3. Faculty of Fundamental and Applied Sciences, University of Ndjamena, P.O. Box 1027, Ndjamena, Chad 4. Department of Physics, Advanced Teacher Training College, University of Yaounde I, P.O. Box 47, Yaounde, Cameroon |
| Abstract: | We report on ab initio coupled-cluster calculations of the interaction potential energy surface for the HCNH+–He complex. The aug-cc-pVTZ Gaussian basis, to which is added a set of bond functions placed at mid-distance between HCNH+ center of mass and He atom is used. The HCNH+ bonds length are set to their values at the equilibrium geometry, i.e., r e [HC]=1.0780 Å, r e [CN]=1.1339 Å and r e [NH]=1.0126 Å. The interaction energy presents a global minimum located $266.9~mathrm{cm^{-1}}$ below the HCNH+–He dissociation limit. Using the interaction potential obtained, we have computed rotational excitation cross sections in the close-coupling approach and downward rate coefficients at low temperature (T≤120 K). It is expected that the data worked out in this study may be beneficial for further astrophysical investigations as well as laboratory experiments. |
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