Literature DB >> 19045862

Rotationally inelastic collisions of methinoposphide (HCP) with para-H(2) at low temperature.

K Hammami1, C Nkem, L C Owono Owono, N Jaidane, Z Ben Lakhdar.   

Abstract

The interaction potential energy surface of the methinoposphide (HCP)-H(2) complex is calculated at the ab initio coupled-cluster level of theory with an aug-cc-pVTZ Gaussian basis set. The [H-C] and [C-P] bond lengths of HCP are set to their values at the linear equilibrium ground vibrational level of the molecule. The calculated interaction energy presents two minima located 106.3 and 67.6 cm(-1) below the HCP+H(2) dissociation limit. Using the interaction potential obtained, we have computed collision excitation cross sections in the close-coupling approach and downward rate coefficients at low temperature, i.e., T<or=70 K. These quantities are significantly magnified in comparison with their counterparts for the HCP-He collisions. It is shown that there is a propensity toward DeltaJ=1 transitions.

Entities:  

Year:  2008        PMID: 19045862     DOI: 10.1063/1.3009268

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  1 in total

1.  Rotationally inelastic dynamics of LiH (X(1)Σ(+), v = 0) in collisions with Ar: State-to-state inelastic rotational rate coefficients.

Authors:  Aliou Niane; Cheikh Amadou Bamba Dath; Ndèye Arame Boye Faye; Kamel Hammami; Nejm-Eddine Jaidane
Journal:  Springerplus       Date:  2014-04-14
  1 in total

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