Accession Number : AD0766848

Title :   Electronic States of 1,3,5- (sym)- Triazine. II. Geometry of the singlet E'' and triplet E'' States in the Crystal.

Descriptive Note : Technical rept.,

Corporate Author : PRINCETON UNIV N J DEPT OF CHEMISTRY

Personal Author(s) : Bernstein,Elliot R. ; Smalley,Richard E.

Report Date : 20 SEP 1973

Pagination or Media Count : 64

Abstract : 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. 200/cm 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)

Descriptors :   (*TRIAZINES, ELECTRON TRANSITIONS), ZEEMAN EFFECT, MOLECULAR ENERGY LEVELS, EXCITATION, STARK EFFECT, CRYSTALS, ABSORPTION SPECTRA, MOLECULAR ORBITALS

Subject Categories : Atomic and Molecular Physics and Spectroscopy

Distribution Statement : APPROVED FOR PUBLIC RELEASE