Observation of different reactivities of para and ortho-water towards trapped diazenylium ions

Kilaj, Ardita and Gao, Hong and Rösch, Daniel and Rivero, Uxia and Küpper, Jochen and Willitsch, Stefan. (2018) Observation of different reactivities of para and ortho-water towards trapped diazenylium ions. Nature Communications, 9. p. 2096.

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Official URL: https://edoc.unibas.ch/68823/

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Water is one of the most fundamental molecules in chemistry, biology and astrophysics. It exists as two distinct nuclear-spin isomers, para- and ortho-water, which do not interconvert in isolated molecules. The experimental challenges in preparing pure samples of the two isomers have thus far precluded a characterization of their individual chemical behavior. Capitalizing on recent advances in the electrostatic deflection of polar molecules, we separate the ground states of para- and ortho-water in a molecular beam to show that the two isomers exhibit different reactivities in a prototypical reaction with trapped diazenylium ions. Based on ab initio calculations and a modelling of the reaction kinetics using rotationally adiabatic capture theory, we rationalize this finding in terms of different rotational averaging of ion-dipole interactions during the reaction.
Faculties and Departments:05 Faculty of Science > Departement Chemie > Chemie > Chemische Physik (Willitsch)
UniBasel Contributors:Willitsch, Stefan and Gao, Hong and Kilaj, Ardita and Rivero Gonzalez, Uxia
Item Type:Article, refereed
Article Subtype:Research Article
Publisher:Nature Research
Note:Publication type according to Uni Basel Research Database: Journal article
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Last Modified:20 Feb 2023 16:49
Deposited On:20 Feb 2019 08:55

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