15min:
STRUCTURE DETERMINATION OF RESORCINOL ROTAMERS BY HIGH RESOLUTION UV SPECTROSCOPY.

GRZEGORZ MYSZKIEWICZ, W. LEO MEERTS, Molecular- and Biophysics Group, Institute for Molecules and Materials, Radboud University Nijmegen, NL-6500 GL Nijmegen, The Netherlands; CHRISTIAN RATZER AND MICHAEL SCHMITT, Heinrich-Heine-Universität, Institut für Physikalische Chemie, 40225 Düsseldorf, Germany.

Several rotationally resolved S1 leftarrow S0 electronic origins of deuterated resorcinol rotamers cooled in a molecular beam were recorded. An automated assignment of the observed spectra was performed using a genetic algorithm approach with an asymmetric rotor Hamiltonian. The structure of resorcinol A and resorcinol B was derived from the rotational constants of several deuterated species for both electronic states. The lifetimes of different resorcinol isotopomers in the S1 state are also reported. Like in phenol these lifetimes mainly depend on the position of deuteration. A nearly perfect additivity of the zero-point energies after successive deuterations in resorcinol rotamers was discovered and subsequently used in the full assignment of the previously reported low resolution spectra of deuterated resorcinol A. The analogous spectrum was also predicted for the resorcinol B rotamer.