| Autor: |
Dinu DF; Institute of Materials Chemistry, TU Wien, Getreidemarkt 9/165, 1060 Vienna, Austria.; Department of General, Inorganic and Theoretical Chemistry, Universität Innsbruck, Innrain 80/82, 6020 Innsbruck, Austria., Ončák M; Institut für Ionenphysik und Angewandte Physik, Universität Innsbruck, Technikerstrasse 25, 6020 Innsbruck, Austria., Thorwirth S; I. Physikalisches Institut, Universität zu Köln, Zülpicher Str. 77, 50937 Koln̈, Germany., Liedl KR; Department of General, Inorganic and Theoretical Chemistry, Universität Innsbruck, Innrain 80/82, 6020 Innsbruck, Austria., Brünken S; Radboud University, FELIX Laboratory, Institute for Molecules and Materials, Toernooiveld 7, 6525 ED Nijmegen, The Netherlands., Schlemmer S; I. Physikalisches Institut, Universität zu Köln, Zülpicher Str. 77, 50937 Koln̈, Germany., Jusko P; Max Planck Institute for Extraterrestrial Physics, Giessenbachstrasse 1, 85748 Garching, Germany. |
| Abstrakt: |
We present the first observation of vibrational transitions in the [H 3 O] - anion, an intermediate in the anion-molecule reaction of water, H 2 O, and hydride, H - , using a laser-induced isotopic H/D exchange reaction action spectroscopy scheme applied to anions. The observed bands are assigned as the fundamental and first overtone of the H 2 O-H - vibrational stretching mode, based on anharmonic calculations within the vibrational perturbation theory and vibrational configuration interaction. Although the D 2 O·D - species has the lowest energy, our experiments confirm the D 2 O·H - isotope to be a sink of the H/D exchange reaction. Ab initio calculations corroborate that the formation of D 2 O·H - is favored, as the zero-point-energy difference is larger between D 2 and H 2 than between D 2 O·H - and D 2 O·D - . |
