HUSCAP logo Hokkaido Univ. logo

Hokkaido University Collection of Scholarly and Academic Papers >
Institute of Low Temperature Science >
Peer-reviewed Journal Articles, etc >

Infrared spectroscopy of H+(CO)2 in the gas phase and in para-hydrogen matrices

Files in This Item:
JCP20-AR-02436R_Manuscript_File.pdf1.51 MBPDFView/Open
Please use this identifier to cite or link to this item:

Title: Infrared spectroscopy of H+(CO)2 in the gas phase and in para-hydrogen matrices
Authors: Daniel, Leicht Browse this author
Brandon M., Rittgers Browse this author
Gary E., Douberly Browse this author
Wagner, J. Philipp Browse this author
McDonald, David C Browse this author
Mauney, Daniel T Browse this author
Tsuge, Masashi Browse this author
Lee, Yuan-Pern Browse this author
Duncan, Michael A Browse this author
Issue Date: 25-Aug-2020
Publisher: American Institute of Physics
Journal Title: The Journal of Chemical Physics
Volume: 153
Issue: 8
Start Page: 084305
Publisher DOI: 10.1063/5.0019731
Abstract: The H+(CO)2 and D+(CO)2 molecular ions were investigated by infrared spectroscopy in the gas phase and in para-hydrogen matrices. In the gas phase, ions were generated in a supersonic molecular beam by a pulsed electrical discharge. After extraction into a time-of-flight mass spectrometer, the ions were mass selected and probed by infrared laser photodissociation spectroscopy in the 700 cm−1–3500 cm−1 region. Spectra were measured using either argon or neon tagging, as well as tagging with an excess CO molecule. In solid para-hydrogen, ions were generated by electron bombardment of a mixture of CO and hydrogen, and absorption spectra were recorded in the 400 cm−1–4000 cm−1 region with a Fourier-transform infrared spectrometer. A comparison of the measured spectra with the predictions of anharmonic theory at the CCSD(T)/ANO1 level suggests that the predominant isomers formed by either argon tagging or para-hydrogen isolation are higher lying (+7.8 kcal mol−1), less symmetric isomers, and not the global minimum proton-bound dimer. Changing the formation environment or tagging strategy produces other non-centrosymmetric structures, but there is no spectroscopic evidence for the centrosymmetric proton-bound dimer. The formation of higher energy isomers may be caused by a kinetic effect, such as the binding of X (=Ar, Ne, or H2) to H+(CO) prior to the formation of X H+(CO)2. Regardless, there is a strong tendency to produce non-centrosymmetric structures in which HCO+ remains an intact core ion.
Rights: This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in and may be found at
Type: article (author version)
Appears in Collections:低温科学研究所 (Institute of Low Temperature Science) > 雑誌発表論文等 (Peer-reviewed Journal Articles, etc)

Submitter: 柘植 雅士

Export metadata:

OAI-PMH ( junii2 , jpcoar_1.0 )

MathJax is now OFF:


 - Hokkaido University