Skip to main navigation Skip to search Skip to main content

Rotational Quenching of an Interstellar Gas Thermometer: CH₃CN⋯He Collisions: CH3CN⋯He collisions

  • Missouri University of Science and Technology

Research output: Contribution to journal › Article › peer-review

Abstract

Among all the molecular species found in the interstellar medium, molecules with threefold symmetry axes play a special role, as their rotational spectroscopy allows them to act as practical gas thermometers. Methyl-cyanide (CH 3 CN) is the second most abundant of those (after ammonia). We compute in this paper the collisional dynamics of methyl-cyanide in collision with helium, for both the A-and the E-symmetries of CH 3 CN. The potential energy surface is determined using the CCSD(T)-F12b formalism and fit with convenient analytic functions. We compute the rotationally inelastic cross sections for all levels up to 510 cm -1 of collision energy, employing at low energy exact Coupled Channels methods, and at higher energies, approximate Coupled States methods. For temperatures from 7 K up to 300 K, rates of quenching are computed and most are found to differ from those reported earlier (up to a factor of a thousand), calling for a possible reexamination of the temperatures assigned to low density gasses.

Original languageAmerican English
Pages (from-to)17494-17502
Number of pages9
JournalPhysical Chemistry Chemical Physics
Volume22
Issue number31
DOIs
StatePublished - Jul 23 2020

Disciplines

  • Chemistry

Fingerprint

Dive into the research topics of 'Rotational Quenching of an Interstellar Gas Thermometer: CH₃CN⋯He Collisions: CH3CN⋯He collisions'. Together they form a unique fingerprint.

Cite this