Unknown

Dataset Information

0

Zero-Point-Energy Driven Isotopic Exchange of the [H3O]- anion Probed by Mid-Infrared Action Spectroscopy.


ABSTRACT: We present the first observation of vibrational transitions in the [H3O]- anion, an intermediate in the anion-molecule reaction of water, H2O, 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 H2O-H- vibrational stretching mode, based on anharmonic calculations within the vibrational perturbation theory and vibrational configuration interaction. Although the D2O·D- species has the lowest energy, our experiments confirm the D2O·H- isotope to be a sink of the H/D exchange reaction. Ab initio calculations corroborate that the formation of D2O·H- is favored, as the zero-point-energy difference is larger between D2 and H2 than between D2O·H- and D2O·D-.

SUBMITTER: Dinu DF 

PROVIDER: S-EPMC11311240 | biostudies-literature | 2024 Aug

REPOSITORIES: biostudies-literature

altmetric image

Publications

Zero-Point-Energy Driven Isotopic Exchange of the [H<sub>3</sub>O]<sup>-</sup> anion Probed by Mid-Infrared Action Spectroscopy.

Dinu Dennis F DF   Ončák Milan M   Thorwirth Sven S   Liedl Klaus R KR   Brünken Sandra S   Schlemmer Stephan S   Jusko Pavol P  

Journal of the American Chemical Society 20240724 31


We present the first observation of vibrational transitions in the [H<sub>3</sub>O]<sup>-</sup> anion, an intermediate in the anion-molecule reaction of water, H<sub>2</sub>O, and hydride, H<sup>-</sup>, 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<sub>2</sub>O-H<sup>-</sup> vibrational stretching mode, based on anharmonic calculations within the vibrational pertur  ...[more]

Similar Datasets

| S-EPMC10108229 | biostudies-literature
| S-EPMC4773417 | biostudies-literature
| S-EPMC6055623 | biostudies-literature
| S-EPMC9635596 | biostudies-literature
| S-EPMC8811032 | biostudies-literature
| S-EPMC3831547 | biostudies-literature
| S-EPMC7747747 | biostudies-literature
| S-EPMC4423237 | biostudies-literature
| S-EPMC6775091 | biostudies-literature
| S-EPMC10740002 | biostudies-literature