Selected ion flow tube mass spectrometry analyses of isobaric compounds methanol and hydrazine in humid air

. 2020 May 30 ; 34 (10) : e8744.

Status PubMed-not-MEDLINE Jazyk angličtina Země Velká Británie, Anglie Médium print

Typ dokumentu časopisecké články

Perzistentní odkaz   https://www.medvik.cz/link/pmid32022319

Grantová podpora
18-09848S Czech Science Foundation

RATIONALE: The volatile compounds generated by the electrochemical reduction of atmospheric carbon dioxide and nitrogen include isobaric methanol (CH3 OH) and, potentially, hydrazine (N2 H4 ). To achieve quantification of hydrazine molecules by selected ion flow tube mass spectrometry (SIFT-MS), its reactions with H3 O+ , NO+ and O2 + reagent ions must be understood. METHODS: A SIFT study (using a SIFT-MS instrument) was carried out to obtain rate coefficients and product ions for the reactions of H3 O+ , NO+ and O2 + reagent ions with N2 H4 and CH3 OH molecules present in the humid headspace of their aqueous solutions. Using the kinetics data obtained, solution headspace concentrations were determined for both compounds as a function of their liquid-phase concentrations at 10, 20 and 35°C. RESULTS: Both compounds react with H3 O+ ions via rapid proton transfer to produce CH3 OH2 + and H5 N2 + ions with the common m/z value of 33. It is revealed that NO+ rapidly transfers charge to N2 H4 (rate coefficient k = 2.3 × 10-9 cm3 s-1 ) but only slowly associates with CH3 OH (k2eff = 7.1 × 10-11 cm3 s-1 ). Thus, selective analysis can be achieved using both H3 O+ and NO+ reagent ions. The headspace methanol vapour concentration was found to increase with increasing solution temperature, but that of hydrazine decreased with an associated increase of ammonia (NH3 ) as measured with O2 + reagent ions. CONCLUSIONS: The isobaric compounds methanol and hydrazine can be separately analysed in real time by SIFT-MS using H3 O+ and NO+ reagent ions, even when they co-occur in humid air. The evolution of hydrazine from aqueous solutions can be quantitatively monitored together with its decomposition at elevated temperatures.

Zobrazit více v PubMed

Jhong HR, Ma SC, Kenis PJA. Electrochemical conversion of CO2 to useful chemicals: Current status, remaining challenges, and future opportunities. Curr Opin Chem Eng. 2013;2(2):191-199.

Roy B, Bandyopadhyay S. The design strategies and mechanisms of fluorogenic and chromogenic probes for the detection of hydrazine. Anal Methods. 2018;10(10):1117-1139.

Lee B, Stowe HM, Lee KH, et al. Understanding CO2 capture mechanisms in aqueous hydrazine via combined NMR and first-principles studies. Phys Chem Chem Phys. 2017;19(35):24067-24075.

Španěl P, Smith D. Progress in SIFT-MS: Breath analysis and other applications. Mass Spectrom Rev. 2011;30(2):236-267.

Smith D, Španěl P. Selected ion flow tube mass spectrometry (SIFT-MS) for on-line trace gas analysis. Mass Spectrom Rev. 2005;24(5):661-700.

Smith D, Španěl P. Ambient analysis of trace compounds in gaseous media by SIFT-MS. Analyst. 2011;136(10):2009-2032.

Španěl P, Dryahina K, Smith D. A general method for the calculation of absolute trace gas concentrations in air and breath from selected ion flow tube mass spectrometry data. Int J Mass Spectrom. 2006;249:230-239.

Španěl P, Smith D. Advances in on-line absolute trace gas analysis by SIFT-MS. Curr Anal Chem. 2013;9(4):525-539.

Hunter E, Lias S. Evaluated gas phase basicities and proton affinities of molecules: An update. J Phys Chem Ref Data Monogr. 1998;27:413-656.

Španěl P, Smith D. SIFT studies of the reactions of H3O+, NO+ and O2+ with a series of alcohols. Int J Mass Spectrom. 1997;167:375-388.

Lias SG, Levin RD, Kafafi SA. Ion energetics data. In: NIST Chemistry WebBook, NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology; 2016.

Španěl P, Smith D. Influence of weakly bound adduct ions on breath trace gas analysis by selected ion flow tube mass spectrometry (SIFT-MS). Int J Mass Spectrom. 2009;280(1-3):128-135.

Bouchoux G, Salpin JY, Leblanc D. A relationship between the kinetics and thermochemistry of proton transfer reactions in the gas phase. Int J Mass Spectrom Ion Processes. 1996;153(1):37-48.

Su T, Chesnavich WJ. Parametrization of the ion-polar molecule collision rate-constant by trajectory calculations. J Chem Phys. 1982;76(10):5183-5185.

Sander R. Compilation of Henry's law constants (version 4.0) for water as solvent. Atmos Chem Phys. 2015;15(8):4399-4981.

Španěl P, Davies S, Smith D. Quantification of ammonia in human breath by the selected ion flow tube analytical method using H3O+ and O2+ precursor ions. Rapid Commun Mass Spectrom. 1998;12(12):763-766.

Smith D, Chippendale TWE, Dryahina K, Španěl P. SIFT-MS analysis of nose-exhaled breath; mouth contamination and the influence of exercise. Curr Anal Chem. 2013;9(4):565-575.

Smith D, Španěl P, Jones JB. Analysis of volatile emissions from porcine faeces and urine using selected ion flow tube mass spectrometry. Bioresour Technol. 2000;75(1):27-33.

Stanbury DM. Oxidation of hydrazine in aqueous solution. Prog Inorg Chem. 1998;47:511-561.

Gilbert M. Kinetics of hydrazine decomposition in a laminar non-isothermal flow. Combust Flame. 1958;2(2):149-156.

Smith D, Wang TS, Španěl P. A SIFT study of the reactions of H2ONO+ ions with several types of organic molecules. Int J Mass Spectrom. 2003;230(1):1-9.

MacNaughton MG, Urda GA, Bowden SE. Oxidation of hydrazine in aqueous solutions. 1978, Civil and Environmental Engineering Development Office Tyndall AFB FL

Stowe HM, Hwang GS. Fundamental understanding of CO2 capture and regeneration in aqueous amines from first-principles studies: Recent progress and remaining challenges. Ind Eng Chem Res. 2017;56(24):6887-6899.

Nejnovějších 20 citací...

Zobrazit více v
Medvik | PubMed

Recent developments and applications of selected ion flow tube mass spectrometry (SIFT-MS)

. 2025 Mar-Apr ; 44 (2) : 101-134. [epub] 20230212

Najít záznam

Citační ukazatele

Nahrávání dat ...

Možnosti archivace

Nahrávání dat ...