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Precision spectroscopy of nitrous oxide isotopocules with a cross-dispersed spectrometer and a mid-infrared frequency comb

Published by National Institute of Standards and Technology | National Institute of Standards and Technology | Catalog Last Checked: August 03, 2026 at 03:51 AM | Dataset Last Updated: September 18, 2020
Data set from peer-reviewed publication: D. M. Bailey et al., Precision spectroscopy of nitrous oxide isotopocules with a cross-dispersed spectrometer and a mid-infrared frequency comb, Analytical Chemistry, 92, 13759-13766 (2020). As a potent greenhouse gas and an ozone depleting agent, nitrous oxide (N2O) plays a critical role in the global climate. Effective mitigation relies on understanding global sources and sinks, which can be supported through isotopic analysis. We present a cross-dispersed spectrometer, coupled with a mid-infrared frequency comb, capable of simultaneously monitoring all singly substituted, stable isotopic variants of N2O. Rigorous evaluation of the instrument lineshape function and data treatment using a Doppler-broadened, low-pressure gas sample are discussed. Laboratory characterization of the spectrometer demonstrates sub-GHz spectral resolution and an average precision of 6.7 x 10^{-6} for fractional isotopic abundance retrievals in 1 s.

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13 resources available

  • DOI Access for Precision spectroscopy of nitrous oxide isotopocules with a cross-dispersed spectrometer and a mid-infrared frequency comb

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  • VIPA Instrument Lineshape Data (Fig. 1D and Fig. 1E)

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  • Worked example of modeled transmission spectra (Fig. 5)

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  • Experimental and simulated spectral data for 0.69 kPa of pure N2O (Fig. 6).

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  • Instrument lineshape function characterization (Fig. 7)

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  • Transmission spectrum of 1.35 kPa of pure N2O at 3 ms of integration time (Fig. 8)

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  • Allan deviation analysis of N2O isotopic composition (Fig. 9)

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  • SHA256 File for VIPA Instrument Lineshape Data (Fig. 1D and Fig. 1E)

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  • SHA256 File for Worked example of modeled transmission spectra (Fig. 5)

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  • SHA256 File for Experimental and simulated spectral data for 0.69 kPa of pure N2O (Fig. 6).

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  • SHA256 File for Instrument lineshape function characterization (Fig. 7)

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  • SHA256 File for Transmission spectrum of 1.35 kPa of pure N2O at 3 ms of integration time (Fig. 8)

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    Download

  • SHA256 File for Allan deviation analysis of N2O isotopic composition (Fig. 9)

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    Download

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Complete Metadata
@type dcat:Dataset
accessLevel public
bureauCode 
[
  "006:55"
]
contactPoint 
{
  "fn": "Adam Fleisher",
  "hasEmail": "mailto:adam.fleisher@nist.gov"
}
description Data set from peer-reviewed publication: D. M. Bailey et al., Precision spectroscopy of nitrous oxide isotopocules with a cross-dispersed spectrometer and a mid-infrared frequency comb, Analytical Chemistry, 92, 13759-13766 (2020). As a potent greenhouse gas and an ozone depleting agent, nitrous oxide (N2O) plays a critical role in the global climate. Effective mitigation relies on understanding global sources and sinks, which can be supported through isotopic analysis. We present a cross-dispersed spectrometer, coupled with a mid-infrared frequency comb, capable of simultaneously monitoring all singly substituted, stable isotopic variants of N2O. Rigorous evaluation of the instrument lineshape function and data treatment using a Doppler-broadened, low-pressure gas sample are discussed. Laboratory characterization of the spectrometer demonstrates sub-GHz spectral resolution and an average precision of 6.7 x 10^{-6} for fractional isotopic abundance retrievals in 1 s.
distribution 
[
  {
    "title": "DOI Access for Precision spectroscopy of nitrous oxide isotopocules with a cross-dispersed spectrometer and a mid-infrared frequency comb",
    "accessURL": "https://doi.org/10.18434/mds2-2316"
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    "title": "VIPA Instrument Lineshape Data (Fig. 1D and Fig. 1E)",
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    "description": "Data from Fig. 1D and Fig. 1E:  VIPA instrument lineshape analysis and trends.",
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    "title": "Experimental and simulated spectral data for 0.69 kPa of pure N2O (Fig. 6).",
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    "description": "Data from Fig. 6:  full experimental and simulated model spectra for pure N2O transmission spectrum.",
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    "description": "Data from Fig. 8:  experimental, simulated model, and fitted residuals of rapid VIPA spectroscopy at 3 ms of integration time.",
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    "description": "Data from Fig. 9:  Allan deviation analysis of N2O isotopic composition plotted versus both integration time and laboratory time.",
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    "title": "SHA256 File for Experimental and simulated spectral data for 0.69 kPa of pure N2O (Fig. 6).",
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identifier ark:/88434/mds2-2316
issued 2020-10-27
keyword 
[
  "Environment and Climate",
  "greenhouse gases",
  "nitrous oxide",
  "optical frequency combs",
  "remote sensing",
  "spectroscopy"
]
landingPage https://data.nist.gov/od/id/mds2-2316
language 
[
  "en"
]
license https://www.nist.gov/open/license
modified 2020-09-18 00:00:00
programCode 
[
  "006:045"
]
publisher 
{
  "name": "National Institute of Standards and Technology",
  "@type": "org:Organization"
}
references 
[
  "https://dx.doi.org/10.1021/acs.analchem.0c01868"
]
theme 
[
  "Chemistry:Analytical chemistry",
  "Environment:Greenhouse gas measurements",
  "Physics:Optical physics",
  "Physics:Spectroscopy"
]
title Precision spectroscopy of nitrous oxide isotopocules with a cross-dispersed spectrometer and a mid-infrared frequency comb

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