Heinrich Labhart

FE Theory Including an Elastic σ Skeleton. I. Spectra and Bond Lengths in Long Polyenes

FE theory is refined by introducing the interaction between π electrons and an elastic σ skeleton. It is shown that even for very long polyenes a difference in single and double bond length of the same order of magnitude as in shorter polyenes is to be expected. Bond lengths in the ground and first excited state are calculated, which compare favorably with experimental data deduced by a Franck‐Condon analysis of the intensities of vibrational peaks.

Bestimmung von moleküleigenschaften aus elektrooptischen effekten

Abstract It is shown how from the measurement of electrically induced u birefringency (Kerr-effect) dichroism polarization of fluorescence it is possible to get information on u molecular polarizabilities direction of optical transition moments dipole moments and polarizabilities in excited states.

FE Theory Including an Elastic σ Skeleton. II. Changes of Molecule Dimensions due to Optical Excitation

A simple theory is given which relates the changes in molecular dimension due to optical excitation to the changes in kinetic energy and interaction energy of π electrons. Results for polyenes, polymethines, and for benzene are given. The latter agree quite satisfactorily with experimental determinations.