Issue 42, 2011

A case study in ultracold reactive scattering: D + H2

Abstract

We report theoretical results for reaction and vibrational quenching of the ultracold collision D + H2 (v, j = 0) for a wide range of initial vibrationally excited states v. The v-dependence of the zero-temperature limit of the reaction rate coefficient shows two distinct regimes: a barrier dominated regime for 0 ≤ v ≤ 4, and a barrierless regime for v ≥ 5. We also present detailed distributions over the rovibrational states of the products. We find an approximate conservation of the internal vibrational energy; namely, the branching ratios always favor the highly excited final states, which have vibrational energies similar to that of the entrance channel.

Graphical abstract: A case study in ultracold reactive scattering: D + H2

Article information

Article type
Paper
Submitted
17 Jun 2011
Accepted
20 Sep 2011
First published
05 Oct 2011

Phys. Chem. Chem. Phys., 2011,13, 19148-19155

A case study in ultracold reactive scattering: D + H2

I. Simbotin, S. Ghosal and R. Côté, Phys. Chem. Chem. Phys., 2011, 13, 19148 DOI: 10.1039/C1CP21982K

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements