Spectroscopic-network-assisted precision spectroscopy and its application to water

Roland Tóbiás; Tibor Furtenbacher; Irén Simkó; Attila G. Császár; Meissa L. Diouf; Frank M.J. Cozijn; Joey M.A. Staa; Edcel J. Salumbides; Wim Ubachs

doi:10.1038/s41467-020-15430-6

Spectroscopic-network-assisted precision spectroscopy and its application to water

Roland Tóbiás, Tibor Furtenbacher, Irén Simkó, Attila G. Császár^*, Meissa L. Diouf, Frank M.J. Cozijn, Joey M.A. Staa, Edcel J. Salumbides, Wim Ubachs

^*Corresponding author for this work

Research output: Contribution to Journal › Article › Academic › peer-review

Abstract

Frequency combs and cavity-enhanced optical techniques have revolutionized molecular spectroscopy: their combination allows recording saturated Doppler-free lines with ultrahigh precision. Network theory, based on the generalized Ritz principle, offers a powerful tool for the intelligent design and validation of such precision-spectroscopy experiments and the subsequent derivation of accurate energy differences. As a proof of concept, 156 carefully-selected near-infrared transitions are detected for H₂ ¹⁶O, a benchmark system of molecular spectroscopy, at kHz accuracy. These measurements, augmented with 28 extremely-accurate literature lines to ensure overall connectivity, allow the precise determination of the lowest ortho-H₂ ¹⁶O energy, now set at 23.794 361 22(25) cm⁻¹, and 160 energy levels with similarly high accuracy. Based on the limited number of observed transitions, 1219 calibration-quality lines are obtained in a wide wavenumber interval, which can be used to improve spectroscopic databases and applied to frequency metrology, astrophysics, atmospheric sensing, and combustion chemistry.

Original language	English
Article number	1708
Pages (from-to)	12
Number of pages	1
Journal	Nature Communications
Volume	11
Issue number	1
Early online date	6 Apr 2020
DOIs	https://doi.org/10.1038/s41467-020-15430-6
Publication status	Published - 6 Apr 2020

Funding

This research received funding from LASERLAB-EUROPE (Grant No. 654148, European Union’s Horizon 2020 research and innovation program). The work performed in Budapest received support from NKFIH (Grant No. K119658), from the grant VEKOP-2.3.2-16-2017-000, and from the ELTE Excellence Program (1783-3/2018/FEKUT-STRAT) of the Hungarian Ministry of Human Capacities (EMMI). W.U. acknowledges the European Research Council for an ERC Advanced Grant (Grant No. 670168). Further support was obtained from a NWO-FOM program (16MYSTP) and from the NWO Dutch Astrochemistry Network. The authors are grateful to Prof. Jonathan Tennyson for providing PES subroutines, as well as to Dr. Patrick Dupré, Dr. Csaba Fábri, and Dr. Tamás Szidarovszky for useful discussions.

Funders	Funder number
ELTE Excellence Program	1783-3/2018/FEKUT-STRAT
Hungarian Ministry of Human Capacities
Horizon 2020 Framework Programme	654148
Laserlab-Europe
European Research Council	670168
Emberi Eroforrások Minisztériuma
Nemzeti Kutatási Fejlesztési és Innovációs Hivatal	VEKOP-2.3.2-16-2017-000, K119658

UN SDGs

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title = "Spectroscopic-network-assisted precision spectroscopy and its application to water",

abstract = "Frequency combs and cavity-enhanced optical techniques have revolutionized molecular spectroscopy: their combination allows recording saturated Doppler-free lines with ultrahigh precision. Network theory, based on the generalized Ritz principle, offers a powerful tool for the intelligent design and validation of such precision-spectroscopy experiments and the subsequent derivation of accurate energy differences. As a proof of concept, 156 carefully-selected near-infrared transitions are detected for H2 16O, a benchmark system of molecular spectroscopy, at kHz accuracy. These measurements, augmented with 28 extremely-accurate literature lines to ensure overall connectivity, allow the precise determination of the lowest ortho-H2 16O energy, now set at 23.794 361 22(25) cm−1, and 160 energy levels with similarly high accuracy. Based on the limited number of observed transitions, 1219 calibration-quality lines are obtained in a wide wavenumber interval, which can be used to improve spectroscopic databases and applied to frequency metrology, astrophysics, atmospheric sensing, and combustion chemistry.",

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AU - Cozijn, Frank M.J.

AU - Staa, Joey M.A.

AU - Salumbides, Edcel J.

AU - Ubachs, Wim

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Spectroscopic-network-assisted precision spectroscopy and its application to water

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