Articles | Volume 19, issue 7
https://doi.org/10.5194/acp-19-4419-2019
© Author(s) 2019. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/acp-19-4419-2019
© Author(s) 2019. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
| 
04 Apr 2019
Research article |
| 04 Apr 2019
| 04 Apr 2019
Solubility and solution-phase chemistry of isocyanic acid, methyl isocyanate, and cyanogen halides
James M. Roberts
CORRESPONDING AUTHOR
NOAA/ESRL Chemical Sciences Division, Boulder, Colorado, 80305, USA
Yong Liu
Department of Chemistry, University of Colorado, Denver, Denver, Colorado, 80217, USA
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Cited
31 citations as recorded by crossref.
- Air pollution scenario analyses of fleet replacement strategies to accomplish reductions in criteria air pollutants and 74 VOCs over India H. Hakkim et al. https://doi.org/10.1016/j.aeaoa.2022.100150
- Behavior of Isocyanic Acid and Other Nitrogen-Containing Volatile Organic Compounds in The Indoor Environment C. Wang et al. https://doi.org/10.1021/acs.est.1c08182
- The Simplest, Isolable, Alkynyl Isocyanate HC≡CNCO: Synthesis and Characterization Y. Qin et al. https://doi.org/10.1002/anie.201911102
- The Simplest, Isolable, Alkynyl Isocyanate HC≡CNCO: Synthesis and Characterization Y. Qin et al. https://doi.org/10.1002/ange.201911102
- Reaction of OH with Aliphatic and Aromatic Isocyanates O. Welz et al. https://doi.org/10.1021/acs.jpca.2c06011
- Compilation of Henry's law constants (version 5.0.0) for water as solvent R. Sander https://doi.org/10.5194/acp-23-10901-2023
- Observations of cyanogen bromide (BrCN) in the global troposphere and their relation to polar surface O3 destruction J. Roberts et al. https://doi.org/10.5194/acp-24-3421-2024
- Urea synthesis via electrocatalytic oxidative coupling of CO with NH3 on Pt H. Xiong et al. https://doi.org/10.1038/s41929-024-01173-w
- Comment on “Isocyanic acid (HNCO) and its fate in the atmosphere: a review” by M. D. Leslie, M. Ridoli, J. G. Murphy and N. Borduas-Dedekind,Environ. Sci.: Processes Impacts, 2019,21, 793 P. Plehiers https://doi.org/10.1039/C9EM00403C
- Quantitative kinetics of the atmospheric reaction between isocyanic acid and hydroxyl radicals: post-CCSD(T) contribution, anharmonicity, recrossing effects, torsional anharmonicity, and tunneling D. Deng & B. Long https://doi.org/10.1039/D3CP04385A
- Reaction mechanisms for methyl isocyanate (CH3NCO) gas-phase degradation B. Etz et al. https://doi.org/10.1016/j.jhazmat.2024.134628
- Atmospheric Fate of Methyl Isocyanate, CH3NCO: OH and Cl Reaction Kinetics and Identification of Formyl Isocyanate, HC(O)NCO D. Papanastasiou et al. https://doi.org/10.1021/acsearthspacechem.0c00157
- Atmospheric Chemistry of Methyl Isocyanide–An Experimental and Theoretical Study S. Antonsen et al. https://doi.org/10.1021/acs.jpca.0c05127
- Core-level spectroscopy of the photodissociation process of BrCN molecule K. Zhou 周 & H. Wang 王 https://doi.org/10.1088/1674-1056/ad0cc9
- Online Calibration of a Chemical Ionization Mass Spectrometer for Multifunctional Biogenic Organic Nitrates M. Robinson et al. https://doi.org/10.1021/acsestair.4c00056
- Atmospheric chemical loss processes of isocyanic acid (HNCO): a combined theoretical kinetic and global modelling study S. Rosanka et al. https://doi.org/10.5194/acp-20-6671-2020
- Dark Chemistry during Bleach Cleaning Enhances Oxidation of Organics and Secondary Organic Aerosol Production Indoors J. Mattila et al. https://doi.org/10.1021/acs.estlett.0c00573
- Surface Wetness as an Unexpected Control on Forest Exchange of Volatile Organic Acids S. Fulgham et al. https://doi.org/10.1029/2020GL088745
- High Concentrations of Atmospheric Isocyanic Acid (HNCO) Produced from Secondary Sources in China Z. Wang et al. https://doi.org/10.1021/acs.est.0c02843
- Unveiling σ- and π-hole interactions in COSe-XCN (X = F, Cl, Br, and I): Theoretical insights into halogen substitution effects M. Moradkhani et al. https://doi.org/10.1016/j.rechem.2025.102943
- DFT Study on the Enhanced Sensing Performance of MoTe 2 Modified with Four Metals for Industrial Toxic Gases Z. Meng et al. https://doi.org/10.1080/00268976.2025.2518074
- An improved multiphase chemistry mechanism for methylamines: significant dimethylamine cloud production E. Hoffmann et al. https://doi.org/10.1038/s41612-024-00665-7
- Peculiarities of Carbamide Hydrolysis and Oxidation in a Water–Oxygen Fluid A. Shishkin et al. https://doi.org/10.1134/S1990793124700994
- Furoyl peroxynitrate (fur-PAN), a product of VOC–NOxphotochemistry from biomass burning emissions: photochemical synthesis, calibration, chemical characterization, and first atmospheric observations J. Roberts et al. https://doi.org/10.1039/D2EA00068G
- First-Principles Study of Adsorption of XCN (X = F, Cl, and Br) on Surfaces of Polyaniline . Mehrzad Arjmandi et al. https://doi.org/10.1134/S0036024420100027
- Sources of Gas-Phase Species in an Art Museum from Comprehensive Real-Time Measurements D. Price et al. https://doi.org/10.1021/acsearthspacechem.1c00229
- Reactivity of Isocyanate Radical with Formic Acid in the Tropospheric and Outer Space Regions: A DFT and MP2 Investigation in Gaseous Phase M. Kabanda et al. https://doi.org/10.1002/slct.202302578
- Measurement report: Enhanced photochemical formation of formic and isocyanic acids in urban regions aloft – insights from tower-based online gradient measurements Q. Yang et al. https://doi.org/10.5194/acp-24-6865-2024
- An Mg Solid Solution Affords a Less Toxic and More Stable ZIF-8 N. di Nicola et al. https://doi.org/10.1021/acsomega.5c13152
- Solvation and Hydrolysis Reaction of Isocyanic Acid at the Air–Water Interface: A Computational Study J. Zhong et al. https://doi.org/10.1021/jacs.1c10703
- Sources of isocyanic acid (HNCO) indoors: a focus on cigarette smoke R. Hems et al. https://doi.org/10.1039/C9EM00107G
31 citations as recorded by crossref.
- Air pollution scenario analyses of fleet replacement strategies to accomplish reductions in criteria air pollutants and 74 VOCs over India H. Hakkim et al. https://doi.org/10.1016/j.aeaoa.2022.100150
- Behavior of Isocyanic Acid and Other Nitrogen-Containing Volatile Organic Compounds in The Indoor Environment C. Wang et al. https://doi.org/10.1021/acs.est.1c08182
- The Simplest, Isolable, Alkynyl Isocyanate HC≡CNCO: Synthesis and Characterization Y. Qin et al. https://doi.org/10.1002/anie.201911102
- The Simplest, Isolable, Alkynyl Isocyanate HC≡CNCO: Synthesis and Characterization Y. Qin et al. https://doi.org/10.1002/ange.201911102
- Reaction of OH with Aliphatic and Aromatic Isocyanates O. Welz et al. https://doi.org/10.1021/acs.jpca.2c06011
- Compilation of Henry's law constants (version 5.0.0) for water as solvent R. Sander https://doi.org/10.5194/acp-23-10901-2023
- Observations of cyanogen bromide (BrCN) in the global troposphere and their relation to polar surface O3 destruction J. Roberts et al. https://doi.org/10.5194/acp-24-3421-2024
- Urea synthesis via electrocatalytic oxidative coupling of CO with NH3 on Pt H. Xiong et al. https://doi.org/10.1038/s41929-024-01173-w
- Comment on “Isocyanic acid (HNCO) and its fate in the atmosphere: a review” by M. D. Leslie, M. Ridoli, J. G. Murphy and N. Borduas-Dedekind,Environ. Sci.: Processes Impacts, 2019,21, 793 P. Plehiers https://doi.org/10.1039/C9EM00403C
- Quantitative kinetics of the atmospheric reaction between isocyanic acid and hydroxyl radicals: post-CCSD(T) contribution, anharmonicity, recrossing effects, torsional anharmonicity, and tunneling D. Deng & B. Long https://doi.org/10.1039/D3CP04385A
- Reaction mechanisms for methyl isocyanate (CH3NCO) gas-phase degradation B. Etz et al. https://doi.org/10.1016/j.jhazmat.2024.134628
- Atmospheric Fate of Methyl Isocyanate, CH3NCO: OH and Cl Reaction Kinetics and Identification of Formyl Isocyanate, HC(O)NCO D. Papanastasiou et al. https://doi.org/10.1021/acsearthspacechem.0c00157
- Atmospheric Chemistry of Methyl Isocyanide–An Experimental and Theoretical Study S. Antonsen et al. https://doi.org/10.1021/acs.jpca.0c05127
- Core-level spectroscopy of the photodissociation process of BrCN molecule K. Zhou 周 & H. Wang 王 https://doi.org/10.1088/1674-1056/ad0cc9
- Online Calibration of a Chemical Ionization Mass Spectrometer for Multifunctional Biogenic Organic Nitrates M. Robinson et al. https://doi.org/10.1021/acsestair.4c00056
- Atmospheric chemical loss processes of isocyanic acid (HNCO): a combined theoretical kinetic and global modelling study S. Rosanka et al. https://doi.org/10.5194/acp-20-6671-2020
- Dark Chemistry during Bleach Cleaning Enhances Oxidation of Organics and Secondary Organic Aerosol Production Indoors J. Mattila et al. https://doi.org/10.1021/acs.estlett.0c00573
- Surface Wetness as an Unexpected Control on Forest Exchange of Volatile Organic Acids S. Fulgham et al. https://doi.org/10.1029/2020GL088745
- High Concentrations of Atmospheric Isocyanic Acid (HNCO) Produced from Secondary Sources in China Z. Wang et al. https://doi.org/10.1021/acs.est.0c02843
- Unveiling σ- and π-hole interactions in COSe-XCN (X = F, Cl, Br, and I): Theoretical insights into halogen substitution effects M. Moradkhani et al. https://doi.org/10.1016/j.rechem.2025.102943
- DFT Study on the Enhanced Sensing Performance of MoTe 2 Modified with Four Metals for Industrial Toxic Gases Z. Meng et al. https://doi.org/10.1080/00268976.2025.2518074
- An improved multiphase chemistry mechanism for methylamines: significant dimethylamine cloud production E. Hoffmann et al. https://doi.org/10.1038/s41612-024-00665-7
- Peculiarities of Carbamide Hydrolysis and Oxidation in a Water–Oxygen Fluid A. Shishkin et al. https://doi.org/10.1134/S1990793124700994
- Furoyl peroxynitrate (fur-PAN), a product of VOC–NOxphotochemistry from biomass burning emissions: photochemical synthesis, calibration, chemical characterization, and first atmospheric observations J. Roberts et al. https://doi.org/10.1039/D2EA00068G
- First-Principles Study of Adsorption of XCN (X = F, Cl, and Br) on Surfaces of Polyaniline . Mehrzad Arjmandi et al. https://doi.org/10.1134/S0036024420100027
- Sources of Gas-Phase Species in an Art Museum from Comprehensive Real-Time Measurements D. Price et al. https://doi.org/10.1021/acsearthspacechem.1c00229
- Reactivity of Isocyanate Radical with Formic Acid in the Tropospheric and Outer Space Regions: A DFT and MP2 Investigation in Gaseous Phase M. Kabanda et al. https://doi.org/10.1002/slct.202302578
- Measurement report: Enhanced photochemical formation of formic and isocyanic acids in urban regions aloft – insights from tower-based online gradient measurements Q. Yang et al. https://doi.org/10.5194/acp-24-6865-2024
- An Mg Solid Solution Affords a Less Toxic and More Stable ZIF-8 N. di Nicola et al. https://doi.org/10.1021/acsomega.5c13152
- Solvation and Hydrolysis Reaction of Isocyanic Acid at the Air–Water Interface: A Computational Study J. Zhong et al. https://doi.org/10.1021/jacs.1c10703
- Sources of isocyanic acid (HNCO) indoors: a focus on cigarette smoke R. Hems et al. https://doi.org/10.1039/C9EM00107G
Saved (final revised paper)
Latest update: 11 Jun 2026
Short summary
Condensed-phase reactions are important removal processes for reduced nitrogen species, isocyanic acid (HNCO), methyl isocyanate (CH3NCO), and cyanogen halides (XCN, X = Cl, Br, I). This chemistry is not well understood, so we measured aqueous-phase solubilities and reaction rates under a range of temperatures and conditions and in n-octanol, a proxy for non-polar media and biological membranes. The results were used to estimate atmospheric removal rates and fates of these nitrogen compounds.
Condensed-phase reactions are important removal processes for reduced nitrogen species,...
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