STRUCTURE DETERMINATION OF RESORCINOL ROTAMERS BY HIGH RESOLUTION UV SPECTROSCOPY
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Date
2005
Authors
Myszkiewicz, Grzegorz
Meerts, W. Leo
Ratzer, Christian
Schmitt, Michael
Journal Title
Journal ISSN
Volume Title
Publisher
Ohio State University
Abstract
Several rotationally resolved $S_1\leftarrow S_0$ 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 $S_1$ 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}, 1999, {\bf 111}, 7966--7975.}. The analogous spectrum was also predicted for the resorcinol B rotamer.
Description
{ M. Gerhards, C. Unterberg, and S. Schumm, {\em J. Chem. Phys.
Author Institution: Molecular- and Biophysics Group,; Institute for Molecules and Materials, Radboud University; Nijmegen,; NL-6500 GL Nijmegen, The Netherlands; Heinrich-Heine-Universitat, Institut fur; Physikalische Chemie, 40225 Dusseldorf, Germany
Author Institution: Molecular- and Biophysics Group,; Institute for Molecules and Materials, Radboud University; Nijmegen,; NL-6500 GL Nijmegen, The Netherlands; Heinrich-Heine-Universitat, Institut fur; Physikalische Chemie, 40225 Dusseldorf, Germany