English
 
User Manual Privacy Policy Disclaimer Contact us
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT
  Simplified analysis and representation of multi-channel thermal unimolecular reactions.

Troe, J. (2019). Simplified analysis and representation of multi-channel thermal unimolecular reactions. Journal of Physical Chemistry A, 123(5), 1007-1014. doi:10.1021/acs.jpca.8b11656.

Item is

Basic

show hide
Item Permalink: http://hdl.handle.net/21.11116/0000-0002-C33A-1 Version Permalink: http://hdl.handle.net/21.11116/0000-0003-B58C-3
Genre: Journal Article

Files

show Files
hide Files
:
3018585.pdf (Publisher version), 441KB
 
File Permalink:
-
Name:
3018585.pdf
Description:
-
Visibility:
Restricted ( Max Planck Society (every institute); )
MIME-Type / Checksum:
application/pdf
Technical Metadata:
Copyright Date:
-
Copyright Info:
-
License:
-

Locators

show

Creators

show
hide
 Creators:
Troe, J.1, Author              
Affiliations:
1Emeritus Group of Spectroscopy and Photochemical Kinetics, MPI for Biophysical Chemistry, Max Planck Society, ou_578625              

Content

show
hide
Free keywords: -
 Abstract: Two-channel and multi-channel thermal unimolecular reactions are analyzed by simple models, starting with the calculation of separated-channel rate constants and accounting for intrinsic channel coupling afterwards. Reactions with rigid- and with loose-activated complex channels are distinguished. Weak-collision, energy-transfer, effects are suggested to govern the competition between rigid-activated complex channels, while angular-momentum, "rotational channel switching", effects dominate the competition between rigid- and loose-activated complex channels. The models are tested against master equation treatments of the dissociations of formaldehyde and of glyoxal from the literature. Besides giving insight into the influence of various molecular input parameters, the present approach leads to compact representations of rate constants suitable for inclusion in data bases.

Details

show
hide
Language(s): eng - English
 Dates: 2019-01-112019-02-07
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: Peer
 Identifiers: DOI: 10.1021/acs.jpca.8b11656
 Degree: -

Event

show

Legal Case

show

Project information

show

Source 1

show
hide
Title: Journal of Physical Chemistry A
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: -
Pages: - Volume / Issue: 123 (5) Sequence Number: - Start / End Page: 1007 - 1014 Identifier: -