Articles | Volume 25, issue 22
https://doi.org/10.5194/acp-25-16435-2025
© Author(s) 2025. 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-25-16435-2025
© Author(s) 2025. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
| 
21 Nov 2025
Research article |
| 21 Nov 2025
| 21 Nov 2025
Key Role of Nitrogen-containing Oxygenated Organic Molecules (OOMs) in SOA Formation Evidenced by OH/NO3-induced Terpinolene Oxidation
Hongjin Wu
Environment Research Institute, Shandong University, Qingdao 266237, China
Juan Dang
CORRESPONDING AUTHOR
Environment Research Institute, Shandong University, Qingdao 266237, China
Xiaomeng Zhang
Environment Research Institute, Shandong University, Qingdao 266237, China
Weichen Yang
Environment Research Institute, Shandong University, Qingdao 266237, China
Shuai Tian
Department of Cardiology, The Eighth Affiliated Hospital, Sun Yat-sen University, Shenzhen, Guangdong 518033, China
Shibo Zhang
CORRESPONDING AUTHOR
Environment Research Institute, Shandong University, Qingdao 266237, China
Qingzhu Zhang
Environment Research Institute, Shandong University, Qingdao 266237, China
Wenxing Wang
Environment Research Institute, Shandong University, Qingdao 266237, China
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Cited articles
Arey, J., Atkinson, R., and Aschmann, S. M.: Product Study of the Gas-Phase Reactions of Monoterpenes With the OH Radical in the Presence of NOx, Journal of Geophysical Research-Atmospheres, 95, 18539–18546, https://doi.org/10.1029/JD095iD11p18539, 1990.
Aschmann, S. M., Arey, J., and Atkinson, R.: OH radical formation from the gas-phase reactions of O3 with a series of terpenes, Atmospheric Environment, 36, 4347–4355, https://doi.org/10.1016/s1352-2310(02)00355-2, 2002.
Atkinson, R. and Arey, J.: Atmospheric Degradation of Volatile Organic Compounds, Chemical Reviews, 103, 4605–4638, https://doi.org/10.1021/cr0206420, 2003.
Atkinson, R., Hasegawa, D., and Aschmann, S. M.: Rate Constants for the Gas-Phase Reactions of O3 with a Series of Monoterpenes and Related Compounds at 296 ± 2 K, International Journal of Chemical Kinetics, 22, 871–887, https://doi.org/10.1002/kin.550220807, 1990.
Atkinson, R., Aschmann, S. M., Arey, J., and Shorees, B.: Formation of OH Radicals in the Gas Phase Reactions of O3 With a Series of Terpenes, Journal of Geophysical Research-Atmospheres, 97, 6065–6073, https://doi.org/10.1029/92jd00062, 1992.
Bianchi, F., Garmash, O., He, X., Yan, C., Iyer, S., Rosendahl, I., Xu, Z., Rissanen, M. P., Riva, M., Taipale, R., Sarnela, N., Petäjä, T., Worsnop, D. R., Kulmala, M., Ehn, M., and Junninen, H.: The role of highly oxygenated molecules (HOMs) in determining the composition of ambient ions in the boreal forest, Atmos. Chem. Phys., 17, 13819–13831, https://doi.org/10.5194/acp-17-13819-2017, 2017.
Bianchi, F., Kurtén, T., Riva, M., Mohr, C., Rissanen, M. P., Roldin, P., Berndt, T., Crounse, J. D., Wennberg, P. O., Mentel, T. F., Wildt, J., Junninen, H., Jokinen, T., Kulmala, M., Worsnop, D. R., Thornton, J. A., Donahue, N., Kjaergaard, H. G., and Ehn, M.: Highly oxygenated organic molecules (HOM) from gas-phase autoxidation involving peroxy radicals: A key contributor to atmospheric aerosol, Chemical Reviews, 119, 3472–3509, https://doi.org/10.1021/acs.chemrev.8b00395, 2019.
Boyd, A. A., Flaud, P.-M., Daugey, N., and Lesclaux, R.: Rate Constants for RO2 + HO2 Reactions Measured under a Large Excess of HO2, Journal of Physical Chemistry A, 107, 818–821, https://doi.org/10.1021/jp026581r, 2003.
Corchnoy, S. B. and Atkinson, R.: Kinetics of the Gas-Phase Reactions of OH and NO3 Radicals with 2-Carene,1,8-Cineole, p-Cymene, and Terpinolene, Environmental Science & Technology, 24, 1497–1502, https://doi.org/10.1021/es00080a007, 1990.
Curtius, J., Heinritzi, M., Beck, L. J., Pöhlker, M. L., Tripathi, N., Krumm, B. E., Holzbeck, P., Nussbaumer, C. M., Hernández Pardo, L., Klimach, T., Barmpounis, K., Andersen, S. T., Bardakov, R., Bohn, B., Cecchini, M. A., Chaboureau, J.-P., Dauhut, T., Dienhart, D., Dörich, R., Edtbauer, A., Giez, A., Hartmann, A., Holanda, B. A., Joppe, P., Kaiser, K., Keber, T., Klebach, H., Krüger, O. O., Kürten, A., Mallaun, C., Marno, D., Martinez, M., Monteiro, C., Nelson, C., Ort, L., Raj, S. S., Richter, S., Ringsdorf, A., Rocha, F., Simon, M., Sreekumar, S., Tsokankunku, A., Unfer, G. R., Valenti, I. D., Wang, N., Zahn, A., Zauner-Wieczorek, M., Albrecht, R. I., Andreae, M. O., Artaxo, P., Crowley, J. N., Fischer, H., Harder, H., Herdies, D. L., Machado, L. A. T., Pöhlker, C., Pöschl, U., Possner, A., Pozzer, A., Schneider, J., Williams, J., and Lelieveld, J.: Isoprene nitrates drive new particle formation in Amazon's upper troposphere, Nature, 636, 124–130, https://doi.org/10.1038/s41586-024-08192-4, 2024.
Draper, D. C., Farmer, D. K., Desyaterik, Y., and Fry, J. L.: A qualitative comparison of secondary organic aerosol yields and composition from ozonolysis of monoterpenes at varying concentrations of NO2, Atmos. Chem. Phys., 15, 12267–12281, https://doi.org/10.5194/acp-15-12267-2015, 2015.
Espinosa-Garcia, J., Ojalvo, E. A., and Corchado, J. C.: Theoretical rate constants: on the error cancellation using conventional transition-state theory and Wigner's tunnelling correction, Journal of Molecular Structure: THEOCHEM, 303, 131–139, https://doi.org/10.1016/0166-1280(94)80179-7, 1994.
Fouqueau, A., Cirtog, M., Cazaunau, M., Pangui, E., Doussin, J.-F., and Picquet-Varrault, B.: An experimental study of the reactivity of terpinolene and β-caryophyllene with the nitrate radical, Atmos. Chem. Phys., 22, 6411–6434, https://doi.org/10.5194/acp-22-6411-2022, 2022.
Friedman, B. and Farmer, D. K.: SOA and gas phase organic acid yields from the sequential photooxidation of seven monoterpenes, Atmospheric Environment, 187, 335–345, https://doi.org/10.1016/j.atmosenv.2018.06.003, 2018.
Fry, J. L., Draper, D. C., Barsanti, K. C., Smith, J. N., Ortega, J., Winkler, P. M., Lawler, M. J., Brown, S. S., Edwards, P. M., Cohen, R. C., and Lee, L.: Secondary Organic Aerosol Formation and Organic Nitrate Yield from NO3 Oxidation of Biogenic Hydrocarbons, Environmental Science & Technology, 48, 11944–11953, https://doi.org/10.1021/es502204x, 2014.
Garmash, O., Rissanen, M. P., Pullinen, I., Schmitt, S., Kausiala, O., Tillmann, R., Zhao, D., Percival, C., Bannan, T. J., Priestley, M., Hallquist, Å. M., Kleist, E., Kiendler-Scharr, A., Hallquist, M., Berndt, T., McFiggans, G., Wildt, J., Mentel, T. F., and Ehn, M.: Multi-generation OH oxidation as a source for highly oxygenated organic molecules from aromatics, Atmos. Chem. Phys., 20, 515–537, https://doi.org/10.5194/acp-20-515-2020, 2020.
Griffin, R. J., Cocker III, D. R.,, Flagan, R. C., and Seinfeld, J. H.: Organic aerosol formation from the oxidation of biogenic hydrocarbons, J. Geophys. Res., 104, 3555–3567, https://doi.org/10.1029/1998jd100049, 1999.
Guenther, A. B., Jiang, X., Heald, C. L., Sakulyanontvittaya, T., Duhl, T., Emmons, L. K., and Wang, X.: The Model of Emissions of Gases and Aerosols from Nature version 2.1 (MEGAN2.1): an extended and updated framework for modeling biogenic emissions, Geosci. Model Dev., 5, 1471–1492, https://doi.org/10.5194/gmd-5-1471-2012, 2012.
Guo, P., Su, Y., Sun, X., Liu, C., Cui, B., Xu, X., Ouyang, Z., and Wang, X.: Urban–Rural Comparisons of Biogenic Volatile Organic Compounds and Ground-Level Ozone in Beijing, Forests 2024, 15, 508, https://doi.org/10.3390/f15030508, 2024.
Guo, Y., Yan, C., Liu, Y., Qiao, X., Zheng, F., Zhang, Y., Zhou, Y., Li, C., Fan, X., Lin, Z., Feng, Z., Zhang, Y., Zheng, P., Tian, L., Nie, W., Wang, Z., Huang, D., Daellenbach, K. R., Yao, L., Dada, L., Bianchi, F., Jiang, J., Liu, Y., Kerminen, V.-M., and Kulmala, M.: Seasonal variation in oxygenated organic molecules in urban Beijing and their contribution to secondary organic aerosol, Atmos. Chem. Phys., 22, 10077–10097, https://doi.org/10.5194/acp-22-10077-2022, 2022.
Hakola, H., Arey, J., Aschmann, S. M., and Atkinson, R.: Product formation from the gas-phase reactions of OH radicals and O3 with a series of monoterpenes, Journal of Atmospheric Chemistry, 18, 75–102, https://doi.org/10.1007/BF00694375, 1994.
Herrmann, F., Winterhalter, R., Moortgat, G. K., and Williams, J.: Hydroxyl radical (OH) yields from the ozonolysis of both double bonds for five monoterpenes, Atmospheric Environment, 44, 3458–3464, https://doi.org/10.1016/j.atmosenv.2010.05.011, 2010.
Huang, X., Zhou, L., Ding, A., Qi, X., Nie, W., Wang, M., Chi, X., Petäjä, T., Kerminen, V.-M., Roldin, P., Rusanen, A., Kulmala, M., and Boy, M.: Comprehensive modelling study on observed new particle formation at the SORPES station in Nanjing, China, Atmos. Chem. Phys., 16, 2477–2492, https://doi.org/10.5194/acp-16-2477-2016, 2016.
Humphrey, W., Dalke, A., and Schulten, K.: VMD: Visual molecular dynamics, Journal of Molecular Graphics, 14, 33–38, https://doi.org/10.1016/0263-7855(96)00018-5, 1996.
Isaacman-VanWertz, G. and Aumont, B.: Impact of organic molecular structure on the estimation of atmospherically relevant physicochemical parameters, Atmos. Chem. Phys., 21, 6541–6563, https://doi.org/10.5194/acp-21-6541-2021, 2021.
Kieloaho, A.-J., Hellén, H., Hakola, H., Manninen, H. E., Nieminen, T., Kulmala, M., and Pihlatie, M.: Gas-phase alkylamines in a boreal Scots pine forest air, Atmospheric Environment, 80, 369–377, https://doi.org/10.1016/j.atmosenv.2013.08.019, 2013.
Kim, H.: A Density Functional Theory Study on the Reaction Mechanism of Terpinolene with O3, Bulletin of the Korean Chemical Society, 37, 121–122, https://doi.org/10.1002/bkcs.10660, 2016.
Klemm, O., Held, A., Forkel, R., Gasche, R., Kanter, H. J., Rappenglück, B., Steinbrecher, R., Müller, K., Plewka, A., Cojocariu, C., Kreuzwieser, J., Valverde-Canossa, J., Schuster, G., Moortgat, G. K., Graus, M., and Hansel, A.: Experiments on forest/atmosphere exchange: Climatology and fluxes during two summer campaigns in NE Bavaria, Atmospheric Environment, 40, 3–20, https://doi.org/10.1016/j.atmosenv.2006.01.060, 2006.
Kurtén, T., Møller, K. H., Nguyen, T. B., Schwantes, R. H., Misztal, P. K., Su, L., Wennberg, P. O., Fry, J. L., and Kjaergaard, H. G.: Alkoxy Radical Bond Scissions Explain the Anomalously Low Secondary Organic Aerosol and Organonitrate Yields From α-Pinene + NO3, Journal of Physical Chemistry Letters, 8, 2826–2834, https://doi.org/10.1021/acs.jpclett.7b01038, 2017.
Lee, A., Goldstein, A. H., Keywood, M. D., Gao, S., Varutbangkul, V., Bahreini, R., Ng, N. L., Flagan, R. C., and Seinfeld, J. H.: Gas-phase products and secondary aerosol yields from the ozonolysis of ten different terpenes, Journal of Geophysical Research-Atmospheres, 111, https://doi.org/10.1029/2005jd006437, 2006.
Lew, M. M., Rickly, P. S., Bottorff, B. P., Reidy, E., Sklaveniti, S., Léonardis, T., Locoge, N., Dusanter, S., Kundu, S., Wood, E., and Stevens, P. S.: OH and HO2 radical chemistry in a midlatitude forest: measurements and model comparisons, Atmos. Chem. Phys., 20, 9209–9230, https://doi.org/10.5194/acp-20-9209-2020, 2020.
Lindwall, F., Faubert, P., and Rinnan, R.: Diel Variation of Biogenic Volatile Organic Compound Emissions – A field Study in the Sub, Low and High Arctic on the Effect of Temperature and Light, PLOS ONE, 10, e0123610, https://doi.org/10.1371/journal.pone.0123610, 2015.
Liu, Y., Nie, W., Li, Y., Ge, D., Liu, C., Xu, Z., Chen, L., Wang, T., Wang, L., Sun, P., Qi, X., Wang, J., Xu, Z., Yuan, J., Yan, C., Zhang, Y., Huang, D., Wang, Z., Donahue, N. M., Worsnop, D., Chi, X., Ehn, M., and Ding, A.: Formation of condensable organic vapors from anthropogenic and biogenic volatile organic compounds (VOCs) is strongly perturbed by NOx in eastern China, Atmos. Chem. Phys., 21, 14789–14814, https://doi.org/10.5194/acp-21-14789-2021, 2021.
Liu, Y., Liu, C., Nie, W., Li, Y., Ge, D., Chen, L., Zhu, C., Wang, L., Zhang, Y., Liu, T., Qi, X., Wang, J., Huang, D., Wang, Z., Yan, C., Chi, X., and Ding, A.: Exploring condensable organic vapors and their co-occurrence with PM2.5 and O3 in winter in Eastern China, Environmental Science: Atmospheres, 3, 282–297, https://doi.org/10.1039/D2EA00143H, 2023.
Lu, T. and Chen, F.: Multiwfn: A multifunctional wavefunction analyzer, Journal of computational chemistry, 33, 580–592, https://doi.org/10.1002/jcc.22885, 2012.
Luo, D. M., Pierce, J. A., Malkina, I. L., and Carter, W. P. L.: Rate constants for the reactions of O(3P) with selected monoterpenes, International Journal of Chemical Kinetics, 28, 1–8, https://doi.org/10.1002/(sici)1097-4601(1996)28:1<1::Aid-kin1>3.0.Co;2-z, 1996.
Luo, H., Vereecken, L., Shen, H., Kang, S., Pullinen, I., Hallquist, M., Fuchs, H., Wahner, A., Kiendler-Scharr, A., Mentel, T. F., and Zhao, D.: Formation of highly oxygenated organic molecules from the oxidation of limonene by OH radical: significant contribution of H-abstraction pathway, Atmos. Chem. Phys., 23, 7297–7319, https://doi.org/10.5194/acp-23-7297-2023, 2023.
Ma, X., Tan, Z., Lu, K., Yang, X., Liu, Y., Li, S., Li, X., Chen, S., Novelli, A., Cho, C., Zeng, L., Wahner, A., and Zhang, Y.: Winter photochemistry in Beijing: Observation and model simulation of OH and HO2 radicals at an urban site, Science of the Total Environment, 685, 85–95, https://doi.org/10.1016/j.scitotenv.2019.05.329, 2019.
Mao, J., Ren, X., Chen, S., Brune, W. H., Chen, Z., Martinez, M., Harder, H., Lefer, B., Rappenglück, B., Flynn, J., and Leuchner, M.: Atmospheric oxidation capacity in the summer of Houston 2006: Comparison with summer measurements in other metropolitan studies, Atmospheric Environment, 44, 4107–4115, https://doi.org/10.1016/j.atmosenv.2009.01.013, 2010.
Martínez, E., Cabañas, B., Aranda, A., Martín, P., and Salgado, S.: Absolute rate coefficients for the gas-phase reactions of NO3 radical with a series of monoterpenes at T = 298 to 433 K, Journal of Atmospheric Chemistry, 33, 265–282, https://doi.org/10.1023/a:1006178530211, 1999.
Mavroidis, I. and Ilia, M.: Trends of NOx, NO2 and O3 concentrations at three different types of air quality monitoring stations in Athens, Greece, Atmospheric Environment, 63, 135–147, https://doi.org/10.1016/j.atmosenv.2012.09.030, 2012.
Mazzeo, N. A., Venegas, L. E., and Choren, H.: Analysis of NO, NO2, O3 and NOx concentrations measured at a green area of Buenos Aires City during wintertime, Atmospheric Environment, 39, 3055–3068, https://doi.org/10.1016/j.atmosenv.2005.01.029, 2005.
Mohr, C., Lopez-Hilfiker, F. D., Yli-Juuti, T., Heitto, A., Lutz, A., Hallquist, M., D'Ambro, E. L., Rissanen, M. P., Hao, L., Schobesberger, S., Kulmala, M., Mauldin III, R. L., Makkonen, U., Sipilä, M., Petäjä, T., and Thornton, J. A.: Ambient observations of dimers from terpene oxidation in the gas phase: Implications for new particle formation and growth, Geophysical Research Letters, 44, 2958–2966, https://doi.org/10.1002/2017GL072718, 2017.
Mohr, C., Thornton, J. A., Heitto, A., Lopez-Hilfiker, F. D., Lutz, A., Riipinen, I., Hong, J., Donahue, N. M., Hallquist, M., Petäjä, T., Kulmala, M., and Yli-Juuti, T.: Molecular identification of organic vapors driving atmospheric nanoparticle growth, Nature Communications, 10, 4442, https://doi.org/10.1038/s41467-019-12473-2, 2019.
Nie, W., Yan, C., Huang, D. D., Wang, Z., Liu, Y., Qiao, X., Guo, Y., Tian, L., Zheng, P., Xu, Z., Li, Y., Xu, Z., Qi, X., Sun, P., Wang, J., Zheng, F., Li, X., Yin, R., Dallenbach, K. R., Bianchi, F., Petäjä, T., Zhang, Y., Wang, M., Schervish, M., Wang, S., Qiao, L., Wang, Q., Zhou, M., Wang, H., Yu, C., Yao, D., Guo, H., Ye, P., Lee, S., Li, Y. J., Liu, Y., Chi, X., Kerminen, V.-M., Ehn, M., Donahue, N. M., Wang, T., Huang, C., Kulmala, M., Worsnop, D., Jiang, J., and Ding, A.: Secondary organic aerosol formed by condensing anthropogenic vapours over China's megacities, Nature Geoscience, 15, 255–261, https://doi.org/10.1038/s41561-022-00922-5, 2022.
Orlando, J. J., Nozière, B., Tyndall, G. S., Orzechowska, G. E., Paulson, S. E., and Rudich, Y.: Product studies of the OH- and ozone-initiated oxidation of some monoterpenes, Journal of Geophysical Research-Atmospheres, 105, 11561–11572, https://doi.org/10.1029/2000jd900005, 2000.
Orzechowska, G. E.: Atmospheric chemistry of ozone reactions with alkenes, Ph.D Theses, University of California, Los Angeles, United States – California, 189 pp., 2003.
Pankow, J. F. and Asher, W. E.: SIMPOL.1: a simple group contribution method for predicting vapor pressures and enthalpies of vaporization of multifunctional organic compounds, Atmos. Chem. Phys., 8, 2773–2796, https://doi.org/10.5194/acp-8-2773-2008, 2008.
Peeters, J., Müller, J.-F., Stavrakou, T., and Nguyen, V. S.: Hydroxyl Radical Recycling in Isoprene Oxidation Driven by Hydrogen Bonding and Hydrogen Tunneling: The Upgraded LIM1 Mechanism, Journal of Physical Chemistry A, 118, 8625–8643, https://doi.org/10.1021/jp5033146, 2014.
Qiao, X. H., Li, X. X., Yan, C., Sarnela, N., Yin, R. J., Guo, Y. S., Yao, L., Nie, W., Huang, D. D., Wang, Z., Bianchi, F., Liu, Y. C., Donahue, N. M., Kulmala, M., and Jiang, J. K.: Precursor apportionment of atmospheric oxygenated organic molecules using a machine learning method, Environmental Science-Atmospheres, 3, 230–237, https://doi.org/10.1039/d2ea00128d, 2023.
Reissell, A., Harry, C., Aschmann, S. M., Atkinson, R., and Arey, J.: Formation of acetone from the OH radical- and O3-initiated reactions of a series of monoterpenes, Journal of Geophysical Research-Atmospheres, 104, 13869–13879, https://doi.org/10.1029/1999jd900198, 1999.
Rollins, A. W., Pusede, S., Wooldridge, P., Min, K. E., Gentner, D. R., Goldstein, A. H., Liu, S., Day, D. A., Russell, L. M., Rubitschun, C. L., Surratt, J. D., and Cohen, R. C.: Gas/particle partitioning of total alkyl nitrates observed with TD-LIF in Bakersfield, Journal of Geophysical Research-Atmospheres, 118, 6651–6662, https://doi.org/10.1002/jgrd.50522, 2013.
Saunders, S. M., Jenkin, M. E., Derwent, R. G., and Pilling, M. J.: Protocol for the development of the Master Chemical Mechanism, MCM v3 (Part A): tropospheric degradation of non-aromatic volatile organic compounds, Atmos. Chem. Phys., 3, 161–180, https://doi.org/10.5194/acp-3-161-2003, 2003.
Shen, H., Vereecken, L., Kang, S., Pullinen, I., Fuchs, H., Zhao, D., and Mentel, T. F.: Unexpected significance of a minor reaction pathway in daytime formation of biogenic highly oxygenated organic compounds, Science Advances, 8, eabp8702, https://doi.org/10.1126/sciadv.abp8702, 2022.
Shu, Y. and Atkinson, R.: Rate constants for the gas-phase reactions of O3 with a series of Terpenes and OH radical formation from the O3 reactions with Sesquiterpenes at 296 ± 2 K, International Journal of Chemical Kinetics, 26, 1193–1205, https://doi.org/10.1002/kin.550261207, 1994.
Stewart, D. J., Almabrok, S. H., Lockhart, J. P., Mohamed, O. M., Nutt, D. R., Pfrang, C., and Marston, G.: The kinetics of the gas-phase reactions of selected monoterpenes and cyclo-alkenes with ozone and the NO3 radical, Atmospheric Environment, 70, 227–235, https://doi.org/10.1016/j.atmosenv.2013.01.036, 2013.
Surratt, J. D., Gómez-González, Y., Chan, A. W. H., Vermeylen, R., Shahgholi, M., Kleindienst, T. E., Edney, E. O., Offenberg, J. H., Lewandowski, M., Jaoui, M., Maenhaut, W., Claeys, M., Flagan, R. C., and Seinfeld, J. H.: Organosulfate formation in biogenic secondary organic aerosol, Journal of Physical Chemistry A, 112, 8345–8378, https://doi.org/10.1021/jp802310p, 2008.
Tröstl, J., Chuang, W. K., Gordon, H., Heinritzi, M., Yan, C., Molteni, U., Ahlm, L., Frege, C., Bianchi, F., Wagner, R., Simon, M., Lehtipalo, K., Williamson, C., Craven, J. S., Duplissy, J., Adamov, A., Almeida, J., Bernhammer, A.-K., Breitenlechner, M., Brilke, S., Dias, A., Ehrhart, S., Flagan, R. C., Franchin, A., Fuchs, C., Guida, R., Gysel, M., Hansel, A., Hoyle, C. R., Jokinen, T., Junninen, H., Kangasluoma, J., Keskinen, H., Kim, J., Krapf, M., Kürten, A., Laaksonen, A., Lawler, M., Leiminger, M., Mathot, S., Möhler, O., Nieminen, T., Onnela, A., Petäjä, T., Piel, F. M., Miettinen, P., Rissanen, M. P., Rondo, L., Sarnela, N., Schobesberger, S., Sengupta, K., Sipilä, M., Smith, J. N., Steiner, G., Tomè, A., Virtanen, A., Wagner, A. C., Weingartner, E., Wimmer, D., Winkler, P. M., Ye, P., Carslaw, K. S., Curtius, J., Dommen, J., Kirkby, J., Kulmala, M., Riipinen, I., Worsnop, D. R., Donahue, N. M., and Baltensperger, U.: The role of low-volatility organic compounds in initial particle growth in the atmosphere, Nature, 533, 527–531, https://doi.org/10.1038/nature18271, 2016.
Valorso, R., Aumont, B., Camredon, M., Raventos-Duran, T., Mouchel-Vallon, C., Ng, N. L., Seinfeld, J. H., Lee-Taylor, J., and Madronich, S.: Explicit modelling of SOA formation from α-pinene photooxidation: sensitivity to vapour pressure estimation, Atmos. Chem. Phys., 11, 6895–6910, https://doi.org/10.5194/acp-11-6895-2011, 2011.
Vasudevan-Geetha, V., Tiszenkel, L., Wang, Z., Russo, R., Bryant, D., Lee-Taylor, J., Barsanti, K., and Lee, S.-H.: Isomer Molecular Structures and Formation Pathways of Oxygenated Organic Molecules in Newly Formed Biogenic Particles, EGUsphere [preprint], https://doi.org/10.5194/egusphere-2024-2454, 2024.
Wang, J., Feng, L., Palmer, P. I., Liu, Y., Fang, S., Bösch, H., O'Dell, C. W., Tang, X., Yang, D., Liu, L., and Xia, C.: Large Chinese land carbon sink estimated from atmospheric carbon dioxide data, Nature, 586, 720–723, https://doi.org/10.1038/s41586-020-2849-9, 2020.
Wang, S. and Wang, L.: The atmospheric oxidation of dimethyl, diethyl, and diisopropyl ethers. The role of the intramolecular hydrogen shift in peroxy radicals, Phys. Chem. Chem. Phys., 18, 7707–7714, https://doi.org/10.1039/C5CP07199B, 2016.
Wang, Y., Clusius, P., Yan, C., Dällenbach, K., Yin, R., Wang, M., He, X.-C., Chu, B., Lu, Y., Dada, L., Kangasluoma, J., Rantala, P., Deng, C., Lin, Z., Wang, W., Yao, L., Fan, X., Du, W., Cai, J., Heikkinen, L., Tham, Y. J., Zha, Q., Ling, Z., Junninen, H., Petäjä, T., Ge, M., Wang, Y., He, H., Worsnop, D. R., Kerminen, V.-M., Bianchi, F., Wang, L., Jiang, J., Liu, Y., Boy, M., Ehn, M., Donahue, N. M., and Kulmala, M.: Molecular Composition of Oxygenated Organic Molecules and Their Contributions to Organic Aerosol in Beijing, Environmental Science & Technology, 56, 770–778, https://doi.org/10.1021/acs.est.1c05191, 2022.
Witter, M., Berndt, T., Böge, O., Stratmann, F., and Heintzenberg, J.: Gas-phase ozonolysis:: Rate coefficients for a series of terpenes and rate coefficients and OH yields for 2-methyl-2-butene and 2,3-dimethyl-2-butene, International Journal of Chemical Kinetics, 34, 394–403, https://doi.org/10.1002/kin.10063, 2002.
Wu, R., Wang, S., and Wang, L.: New Mechanism for the Atmospheric Oxidation of Dimethyl Sulfide. The Importance of Intramolecular Hydrogen Shift in a CH3SCH2OO Radical, Journal of Physical Chemistry A, 119, 112–117, https://doi.org/10.1021/jp511616j, 2015.
Yuan, Y., Chen, X., Cai, R., Li, X., Li, Y., Yin, R., Li, D., Yan, C., Liu, Y., He, K., Kulmala, M., and Jiang, J.: Resolving Atmospheric Oxygenated Organic Molecules in Urban Beijing Using Online Ultrahigh-Resolution Chemical Ionization Mass Spectrometry, Environmental Science & Technology, 58, 17777–17785, https://doi.org/10.1021/acs.est.4c04214, 2024.
Zhang, G., Hu, R., Xie, P., Lou, S., Wang, F., Wang, Y., Qin, M., Li, X., Liu, X., Wang, Y., and Liu, W.: Observation and simulation of HOx radicals in an urban area in Shanghai, China, Science of the Total Environment, 810, 152275, https://doi.org/10.1016/j.scitotenv.2021.152275, 2022.
Zheng, P., Chen, Y., Wang, Z., Liu, Y., Pu, W., Yu, C., Xia, M., Xu, Y., Guo, J., Guo, Y., Tian, L., Qiao, X., Huang, D. D., Yan, C., Nie, W., Worsnop, D. R., Lee, S., and Wang, T.: Molecular Characterization of Oxygenated Organic Molecules and Their Dominating Roles in Particle Growth in Hong Kong, Environmental Science & Technology, 57, 7764–7776, https://doi.org/10.1021/acs.est.2c09252, 2023.
Short summary
Terpinolene is an isomeride of limonene, with a high secondary organic aerosol (SOA) yield. The comparative analysis of OH-initiated (daytime) and NO3-driven (nocturnal) terpinolene oxidation mechanism, highlighted the formation of nitrogen-containing oxygenated organic molecules (OOMs), would be conducive to molecular structures identification of OOMs in atmospheric monitoring and atmospheric chemical model refinement.
Terpinolene is an isomeride of limonene, with a high secondary organic aerosol (SOA) yield. The...
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