Cited by 385Atmospheric and Environmental Gas DynamicsScientific Measurement and Uncertainty EvaluationGroundwater and Isotope Geochemistry

Correction for the 17O interference in δ(13C) measurements when analyzing CO2 with stable isotope mass spectrometry (IUPAC Technical Report)

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Brand, Willi A., Assonov, Sergey S., Coplen, Tyler B.·2010·Pure and Applied Chemistry

Abstract

Measurements of δ( 13 C) determined on CO 2 with an isotope-ratio mass spectrometer (IRMS) must be corrected for the amount of 17 O in the CO 2 . For data consistency, this must be done using identical methods by different laboratories. This report aims at unifying data treatment for CO 2 IRMS by proposing (i) a unified set of numerical values, and (ii) a unified correction algorithm, based on a simple, linear approximation formula. Because the oxygen of natural CO 2 is derived mostly from the global water pool, it is recommended that a value of 0.528 be employed for the factor λ, which relates differences in 17 O and 18 O abundances. With the currently accepted N ( 13 C)/ N ( 12 C) of 0.011 180(28) in VPDB (Vienna Peedee belemnite) reevaluation of data yields a value of 0.000 393(1) for the oxygen isotope ratio N ( 17 O)/ N ( 16 O) of the evolved CO 2 . The ratio of these quantities, a ratio of isotope ratios, is essential for the 17 O abundance correction: [ N ( 17 O)/ N ( 16 O)]/[ N ( 13 C)/ N ( 12 C)] = 0.035 16(8). The equation [δ( 13 C) ≍ 45 δ VPDB-CO2 + 2 17 R / 13 R ( 45 δ VPDB-CO2 – λ 46 δ VPDB-CO2 )] closely approximates δ( 13 C) values with less than 0.010 ‰ deviation for normal oxygen-bearing materials and no more than 0.026 ‰ in extreme cases. Other materials containing oxygen of non-mass-dependent isotope composition require a more specific data treatment. A similar linear approximation is also suggested for δ( 18 O). The linear approximations are easy to implement in a data spreadsheet, and also help in generating a simplified uncertainty budget.

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  • Raw Δ47 values were calculated using the 17O calibration parameters reported in ref. 53, which have been shown to improve interlaboratory data consistency.

    “Due to the possible large uncertainties related to Assonov 17 O calibration parameters (50-53), we calculated raw Δ 47 values using the 17 O calibration parameters reported in ref. 53, which have been shown to improve interlaboratory data consistency (54).”
  • The interlaboratory bias correction of the dolomite temperature calibration based on a single standard may not be optimal, but it is still better for Δ47 temperature calculations than direct use of the original calibration in ref. 50.

    “The preceding interlaboratory bias correction of the temperature calibration for dolomites based on a single standard may not be optimal, but it is still better for Δ 47 temperature calculations than direct use of the original calibration in ref. 50, which was not given in the Brand parametric framework nor calibrated to the ETH standard values reported in ref. 53.”

    From Massive formation of early diagenetic dolomite in the Ediacaran ocean: Constraints on the "dolomite problem" (2020) · cites this paper as [53]

    The Summary and Practical Implementation section (pp. 1729–1730) describes a framework for correcting and calibrating CO₂ isotope measurements. It does not address dolomite Δ47 temperature calibrations or compare a single-standard interlaboratory correction with direct use of an original calibration. Searches for those terms found no passage that evaluates the claimed comparison. (LLM, conf=0.75)

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Authors
Brand, W. A., Assonov, S. S., & Coplen, T. B.
Affiliations
  • Max Planck Society (DE)
  • European Commission (BE)
  • United States Geological Survey (US)
Venue
Pure and Applied Chemistry
Published
2010-05-26
Volume
82
Issue
8
Pages
1719-1733
ISSN
  • 0033-4545 (ISSN-L)
  • 1365-3075
OpenAlex
W2129805855
Cited by
385
References
27
Citations by year
2026: 20 · 2025: 27 · 2024: 38 · 2023: 45 · 2022: 48 · 2021: 52 · 2020: 36 · 2019: 36 · 2018: 36 · 2017: 20 · 2016: 6 · 2015: 4 · 2014: 3 · 2013: 5 · 2012: 6
Type
journal article
Language
en
Open access
Locations
  • Pure and Applied Chemistry (publishedVersion)
  • Joint Research Centre (European Commission) (submittedVersion)
Topics
  • Physical Sciences › Environmental Science › Global and Planetary Change › Atmospheric and Environmental Gas Dynamics
  • Social Sciences › Decision Sciences › Statistics, Probability and Uncertainty › Scientific Measurement and Uncertainty Evaluation
  • Physical Sciences › Earth and Planetary Sciences › Geochemistry and Petrology › Groundwater and Isotope Geochemistry
Keywords
carbon-13 stable isotopes, carbon dioxide, isotope ratio mass spectrometry, oxygen isotope ratios, uncertainty budget

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