The Dynamical Behavior of the s-Trioxane Radical Cation—A Low-Temperature EPR and Theoretical Study

The Dynamical Behavior of the s-Trioxane Radical Cation—A Low-Temperature EPR and Theoretical Study

The radical cation of s-trioxane, radiolytically generated in a freon (CF3CCl3) matrix, was studied in the 10–140 K temperature region. Reversible changes of the EPR spectra were observed, arising from both ring puckering and ring inversion through the molecular plane. The ESREXN program based on th...

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Bibliographic Details
Main Authors: Sergej S. Naumov, Wolfgang Knolle, Sergej P. Naumov, Andreas Pöppl, Igor Janovský
Format: Article
Language:English
Published: MDPI AG 2014-10-01
Series:Molecules
Subjects:
radical cations
s-trioxane
EPR
DFT
dynamical exchange
Online Access:http://www.mdpi.com/1420-3049/19/11/17305

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