A one-step four-bond-breaking reaction catalyzed by an electron

Molecular demolition: Long-lived compound states involving a low-energy electron and a molecule generally involve the breaking of only one σ bond in the first elementary reaction step. Using high-level ab initio quantum-chemical methods, four-bond breaking in an elementary reaction step has been ide...

Full description

Saved in:
Bibliographic Details
Main Authors: Davis, Daly (Author) , Vysotskiy, Victor P. (Author) , Sajeev, Yesodharan (Author) , Cederbaum, Lorenz S. (Author)
Format: Article (Journal)
Language:English
Published: 05 July 2012
In: Angewandte Chemie. International edition
Year: 2012, Volume: 51, Issue: 32, Pages: 8003-8007
ISSN:1521-3773
DOI:10.1002/anie.201204162
Online Access:Verlag, Volltext: http://dx.doi.org/10.1002/anie.201204162
Verlag, Volltext: https://onlinelibrary.wiley.com/doi/abs/10.1002/anie.201204162
Get full text
Author Notes:Daly Davis, Victor P. Vysotskiy, Y. Sajeev, Lorenz S. Cederbaum
Description
Summary:Molecular demolition: Long-lived compound states involving a low-energy electron and a molecule generally involve the breaking of only one σ bond in the first elementary reaction step. Using high-level ab initio quantum-chemical methods, four-bond breaking in an elementary reaction step has been identified. Upon electron impact, a bicyclic molecule is shown to break four σ bonds in a concerted and essentially barrierless reaction step, producing three closed-shell neutral molecules.
Item Description:Gesehen am 16.08.2018
Physical Description:Online Resource
ISSN:1521-3773
DOI:10.1002/anie.201204162