Documentation scienceplus.abes.fr version Bêta

À propos de : Pseudo-Jahn−Teller Effect as the Origin of the Exalted Frequency of the b2u Kekulé Modein the 1B2u Excited State of Benzene        

AttributsValeurs
type
Is Part Of
Subject
Title
  • Pseudo-Jahn−Teller Effect as the Origin of the Exalted Frequency of the b2u Kekulé Modein the 1B2u Excited State of Benzene
has manifestation of work
related by
Author
Abstract
  • In this paper we show that a pseudo-Jahn−Teller (PJT) coupling between the 1A1g ground state and the 1B2uexcited states along the Kekulé mode of b2u symmetry is responsible for the surprisingly low frequency ofthis mode in the ground state and its remarkable upward shift of 261 cm-1 upon excitation to the first 1B2uexcited state.
article type
is part of this journal



Alternative Linked Data Documents: ODE     Content Formats:       RDF       ODATA       Microdata