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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
Subject(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.
Issue Date:2014-06-18
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:Botschwina, P.; Amano, T.; Kawaguchi, K.; Schröder, B.; Sebald, P. ROVIBRATIONAL STATES OF HBF+ AND HCO+ ISOTOPOLOGUES UP TO HIGH J: THEORY AND EXPERIMENT. Proceedings of the International Symposium on Molecular Spectroscopy, Urbana, IL, June 16-21, 2014. DOI: 10.15278/isms.2014.WI01
Genre:CONFERENCE PAPER/PRESENTATION
Type:Text
Language:English
URI:http://hdl.handle.net/2142/51046
DOI:10.15278/isms.2014.WI01
Rights Information:Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License. http://creativecommons.org/licenses/by/4.0/
Date Available in IDEALS:2014-09-17
2015-04-14


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