Journal article

Publication year: 2023

Journal: Journal of Physical and Chemical Reference Data

Volume number: 52

Issue number: 2

ISSN: 0047-2689

eISSN: 1529-7845

Open access status: Green

DOI Link: https://doi.org/10.1063/5.0152187

Publisher: American Institute of Physics

Abstract: 
Line position and line intensity analyses are carried out for the (H2O)-O-18 isotopic species of the water molecule. Both datasets involve the five lowest lying vibrational states. For the line position analysis, the dataset includes infrared and far infrared transitions recorded in this work using high-temperature Fourier transform emission spectroscopy. Also included are already published infrared, far infrared, microwave, terahertz, Doppler-free combination differences, and kHz accuracy lines. The fitting is carried out with the bending-rotation approach and allows us to reproduce 12 858 line positions involving levels with J = 20 and K-a = 18, with a unitless standard deviation of 1.9, varying 207 spectroscopic parameters. For the line intensity analysis, far infrared line intensities measured in this work using Fourier transform spectroscopy in addition to previously measured line intensities are fitted. 5612 line intensities are accounted for with a unitless standard deviation of 1.5. The results from both analyses are used to build a line list for atmospherical purposes, spanning the 2-5000 cm(-1) spectral range and containing 7593 lines. This line list and calculated energies and line intensities are compared to those already published.

Harvard Citation style: Coudert, L., Mikhailenko, S., Campargue, A. and Mellau, G. (2023) Line Position and Line Intensity Modelings of H₂¹⁸O up to the First Triad and J =20, Journal of Physical and Chemical Reference Data, 52(2), Article 023105. https://doi.org/10.1063/5.0152187

APA Citation style: Coudert, L., Mikhailenko, S., Campargue, A., & Mellau, G. (2023). Line Position and Line Intensity Modelings of H₂¹⁸O up to the First Triad and J =20. Journal of Physical and Chemical Reference Data. 52(2), Article 023105. https://doi.org/10.1063/5.0152187