Electronic States of 1,3,5- (sym)- Triazine. II. Geometry of the singlet E'' and triplet E'' States in the Crystal.
PRINCETON UNIV N J DEPT OF CHEMISTRY
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Through Stark, Zeeman, Zeeman-Stark, and absorption spectra of h3-, h2d1-, h1d2-, and d3-sym-triazine isotopes it has been determined that the lowest observed singlet-singlet transition and singlet-triplet transition of this molecule are both crystal field split by at least ca. 200cm in the low temperature monoclinic crystal. The observed sharp crystal origins for singlet and triplet regions are assigned to transitions involving one component of the split excited states. From h2d1-, and h1d2-sym-triazine absorption intensity ratios for these transitions, it has been demonstrated that the excited state geometry is quinoidal i.e., four long and two short bonds at 4.2 K in each excited state. Modified author abstract
- Atomic and Molecular Physics and Spectroscopy