Jump to main content
Jump to site search

Issue 19, 2019
Previous Article Next Article

Interaction of the simple carbene c-C3H2 with H2: potential energy surface and low-energy scattering

Author affiliations

Abstract

Cyclopropenylidene, c-C3H2, is a simple hydrocarbon, ubiquitous in astrophysical gases, and possessing a permanent electric dipole moment. Its readily observed rotational transitions make it an excellent probe for the physics and history of interstellar matter. The collisional properties of c-C3H2 with the main background gas, H2, are computed here. We present a full 5-D Potential Energy Surface in the rigid molecule approach, and fit it to relevant functionals for subsequent scattering. We perform low-energy quantum scattering at energies less than 50 cm−1. We use both ortho and para H2 as projectiles. We determine the quality of the various approximations to exact coupled channel scattering and examine paths to go towards higher energy scattering relevant for astrophysics. We compare the results obtained here with earlier ones for scattering with helium.

Graphical abstract: Interaction of the simple carbene c-C3H2 with H2: potential energy surface and low-energy scattering

Back to tab navigation

Publication details

The article was received on 21 Mar 2019, accepted on 18 Apr 2019 and first published on 19 Apr 2019


Article type: Paper
DOI: 10.1039/C9CP01601E
Phys. Chem. Chem. Phys., 2019,21, 9996-10002

  •   Request permissions

    Interaction of the simple carbene c-C3H2 with H2: potential energy surface and low-energy scattering

    M. Ben Khalifa, L. Wiesenfeld and K. Hammami, Phys. Chem. Chem. Phys., 2019, 21, 9996
    DOI: 10.1039/C9CP01601E

Search articles by author

Spotlight

Advertisements