Permutational symmetry, isotope effects, side crossing, and singlet-triplet splitting in anthracene·HeN (N=1, 2) clusters

Andreas Heidenreich*, Joshua Jortner

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

18 Scopus citations

Abstract

Quantum-mechanical calculations for the energetics, nuclear dynamics, and electronic-vibrational spectorscopy of An·4HeN and An·3He1 clusters in the ground (S0) and in the first spin-allowed excited (S1) electronic state are presented. As such, the isotope effects and the implications of permutation symmetry on the nuclear level structure are explored. In the context of electronic-vibrational level structure, novel information is obtained on spectral shifts and Franck-Condon factors for the S0→S1 tranition in the An·4HeN and An·3HeN quantum clusters.

Original languageEnglish
Pages (from-to)10101-10119
Number of pages19
JournalJournal of Chemical Physics
Volume118
Issue number22
DOIs
StatePublished - 8 Jun 2003

Fingerprint

Dive into the research topics of 'Permutational symmetry, isotope effects, side crossing, and singlet-triplet splitting in anthracene·HeN (N=1, 2) clusters'. Together they form a unique fingerprint.

Cite this