An argon-oxygen covalent bond in the ArOH+ molecular ion

Wagner, J. Philipp

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https://hdl.handle.net/2142/100465 Copy

Description

Title

An argon-oxygen covalent bond in the ArOH+ molecular ion

Author(s)

Wagner, J. Philipp

Contributor(s)

• Duncan, Michael A.
• McDonald II, David C

Issue Date

2018-06-20

Keyword(s)

Structure determination

Abstract

Although the OH+ cation is decidedly a triplet (3Σ −) being over 50 kcal mol−1 more stable than the corresponding singlet (1∆), binding to an argon atom can reverse this situation. The noble gas forms a strong donor-acceptor bond to the excited state singlet cation with a bond strength of 66.4 kcal mol−1 at the CCSDT(Q)/CBS level of theory. This makes the singlet 3.9 kcal mol−1 more stable than the most favorable triplet Ar−HO+ complex. In a cold molecular beam experiment we have prepared both, singlet and triplet, isomers of this molecular ion depending on the employed ion source. Photodissociation spectroscopy in combination with messenger atom tagging reveals that the two observed spin isomers exhibit completely different spectral signatures in the infrared and the O−H stretching fundamentals differ by about 900 cm−1 . These findings might encourage the search for a new potential interstellar noble gas molecule.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

eng

Permalink

http://hdl.handle.net/2142/100465

DOI

10.15278/isms.2018.WK03

Copyright and License Information

Copyright 2018 J. Philipp Wagner

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