Title

Low Temperature Rate Constants for the N + CN → N₂ + C Reaction: Two-Dimensional Quantum Capture Calculations on an Accurate Potential Energy Surface

Abstract

The title reaction is thought to be responsible for the production of molecular nitrogen in interstellar clouds. In this work, we report quantum capture calculations on a new two-dimensional potential energy surface determined by interpolating high-level ab initio data. The low-temperature rate constant calculated using a capture model is quite large and has a positive temperature dependence, in agreement with a recent experiment. The origin of the aforementioned behaviors of the rate constant is analyzed.

Department(s)

Chemistry

Document Type

Article - Journal

Document Version

Citation

File Type

text

Language(s)

English

Rights

© 2012 Royal Society of Chemistry, All rights reserved.


Share

 
COinS