Rovibrational States Of Hbf+ And Hco+ Isotopologues Up To High J: Theory And Experiment

Botschwina, Peter

Permalink

https://hdl.handle.net/2142/51046 Copy

Description

Title

Rovibrational States Of Hbf+ And Hco+ Isotopologues Up To High J: Theory And Experiment

Author(s)

Botschwina, Peter

Contributor(s)

• Amano, Takayoshi
• Kawaguchi, Kentarou
• Schröder, Benjamin
• Sebald, Peter

Issue Date

2014-06-18

Keyword(s)

Comparing theory and experiment

Abstract

Near-equilibrium potential energy surfaces for HBF$^+$ and HCO$^+$, obtained from high-level calculations beyond fc-CCSD(T), are employed in variational calculations for many rovibrational states of various isotopologues. Calculated effective spectroscopic parameters are in excellent agreement with available experimental data and many predictions are being made, also for line intensities of HBF$^+$ and HCO$^+$ isotopologues. Combining a difference frequency system with glow discharge and a discharge modulation scheme, six and seven lines of the $\nu_1$ bands for H$^{11}$BF$^+$ and H$^{10}$BF$^+$, respectively, were observed. Together with data obtained from microwave spectroscopy, the spectroscopic constants of the $\nu_1$ states could be derived through least-squares fitting.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

English

Permalink

http://hdl.handle.net/2142/51046

DOI

https://doi.org/10.15278/isms.2014.WI01

Copyright and License Information

Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License. http://creativecommons.org/licenses/by/4.0/

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