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eISSN: 2083-5906
ISSN: 1230-1485
ISSN: 1230-1485
ORIGINAL RESEARCH
Experimental Study Online Detection of Toluene
Secondary Organic Aerosol by Synchrotron
Radiation Vacuum Ultraviolet Photoionization
Mass Spectrometer
1
Fujian Provincial Key Laboratory of Modern Analytical Science and Separation Technology, College of Chemistry
& Chemical Engineering and Environment, Minnan Normal University, Zhangzhou 363000, China
2
National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230031, China
3
School of Environment Science & Engineering, Tan Kah Kee College, Xiamen University, Zhangzhou 363105, China
4
Laboratory of Atmospheric Physico-Chemistry, Anhui Institute of Optics and Fine Mechanics,
Chinese Academy of Sciences, Hefei 230031, China
Submission date: 2026-03-23
Final revision date: 2026-06-09
Acceptance date: 2026-06-19
Online publication date: 2026-09-04
Corresponding author
Mingqiang Huang
Fujian Provincial Key Laboratory of Modern Analytical Science and Separation Technology, College of Chemistry & Chemical Engineering and Environment, Minnan Normal University, Zhangzhou 363000, China
Fujian Provincial Key Laboratory of Modern Analytical Science and Separation Technology, College of Chemistry & Chemical Engineering and Environment, Minnan Normal University, Zhangzhou 363000, China
Weijun Zhang
Laboratory of Atmospheric Physico-Chemistry, Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei 230031, China
Laboratory of Atmospheric Physico-Chemistry, Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei 230031, China
KEYWORDS
TOPICS
ABSTRACT
Secondary organic aerosols (SOAs) formed via the photooxidation of toluene and other aromatics are
major components of fine particles. A synchrotron radiation vacuum ultraviolet photoionization aerosol
mass spectrometer (VUV-PIAMS) was used to conduct online detection of the components of SOA
generated by toluene chamber simulation in this study. Mass spectra of SOA particles were measured
at a photon energy of 10.5 eV. The photoionization efficiency (PIE) curve of each ion peak within the
7.5-11.5 eV range was obtained, and then the qualitative analysis based on ionization potential (IP) was
utilized to determine the composition of SOA. Experimental results demonstrated that mass spectra of
toluene SOA primarily contained peaks at m/z = 64, 72, 94, 106, 108, and 122, with IPs of 8.92±0.03,
9.63±0.03, 8.53±0.03, 9.45±0.03, 8.28±0.03, 8.93±0.03, and 9.26±0.03 eV, respectively. Combined
with theoretical calculations and offline measurements of ultraviolet-visible absorption spectroscopy
and electrospray ionization mass spectrometry, it was determined that furan, methylglyoxal, phenol,
benzaldehyde, 2-methylphenol, 4-methylphenol, and benzoic acid were the major components of toluene
SOA. Based on the areas of the mass peaks, methylphenol, benzaldehyde, benzoic acid, methylglyoxal,
phenol, furan, and unidentified components accounted for 21.4%, 17.1%, 15.7%, 14.3%, 12.9%, 11.4%
and 7.2% of the measured components, respectively. The obtained results provide new information
for studying the photooxidation mechanism of toluene. VUV-PIAMS overcomes cumbersome
sample preparation procedures, potential secondary contamination, and other shortcomings of offline measurements, making it a useful tool for measuring the compositions of SOA and revealing their
formation processes.
CONFLICT OF INTEREST
The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.
REFERENCES (57)
1.
OLIVEIRA K., GUEVARA M., JORBA O., PETETIN H., BOWDALA D., TENA C., PINTO G.M., LÓPEZ F., GARCÍA-PANDO C.P. On the uncertainty of anthropogenic aromatic volatile organic compound emissions: Model evaluation and sensitivity analysis. Atmospheric Chemistry and Physics, 24 (12), 7137, 2024.
2.
ZHAO Y., WANG M.L., ZHU R.C., WEI Y.B., HE L.Q., HU J.N., LAI Y.T., SU S. Volatile organic compound emissions from light-duty vehicles: Effects of aromatic and olefin compositions in gasoline. Fuel, 407, 137388, 2026.
3.
DANTAS G., GORNE I., DA SILVA C.M., ARBILLA G. Benzene, toluene, ethylbenzene, and xylene (BTEX) concentrations in urban areas impacted by chemical and petrochemical industrial emissions. Bulletin of Environmental Contamination and Toxicology, 108 (2), 204, 2022.
4.
JAYARAJ S., NAGENDRA S.M.S. An assessment of atmospheric concentrations and spatiotemporal variation of BTEX and associated pollutants in India. Journal of Environmental Sciences, 150, 230, 2025.
5.
SAEED M., MALEKMOHAMMADI B., TAJALLI S. Interaction of benzene, toluene, ethylbenzene, and xylene with the human body: Insights into characteristics, sources, and health risks. Journal of Hazardous Materials Advances, 16,100459, 2024.
6.
ZHANG D.H., TANG X.C., LIU X.B., HE Z.X., WANG S.H. Health hazards of occupational exposure to benzene, toluene, and xylene (BTX) and the role of Vanin-1: A populational-based study. International Archives of Occupational and Environmental Health, 99 (1), 4, 2026.
7.
LI Y.X., ZHAO J.Y., WANG Y., SEINFELD J.H., ZHANG R.Y. Multigeneration production of secondary organic aerosol from toluene photooxidation. Environmental Science & Technology, 55 (13), 8592, 2021.
8.
SRIVASTAVA D., LI W.R., TONG S.R., SHI Z.B., HARRISON R.M. Characterization of products formed from the oxidation of toluene and m-xylene with varying NOx and OH exposure. Chemosphere, 334, 139002, 2023.
9.
URUCI P., FLOROUL K., PAGLIONE M., KALTSONOUDIS C., PICQUET- VARRAULT B., DOUSSIN J.F., CAZAUNAU M., LESKINEN A., HAO L.Q., VIRTANEN A., BELL D.M., MUTZEL A., MOTHES F., HERRMANN H., RODENAS M., MUÑOZ A., FUCHS H., BOHN B., NEHR S., ALFARRA M.R., VOLIQTIS A., MCFIGGANS G., PATROESCU-KLOTZ I.V., ILLMANN N., PANDIS S.N. Toluene photo-oxidation and secondary organic aerosol formation: EUROCHAMP-2020 multi-chamber experiments. Journal of Atmospheric Chemistry, 82 (2), 20, 2025.
10.
MOISE T., FLORES J.M., RUDICH Y. Optical properties of secondary organic aerosols and their changes by chemical processes. Chemical Reviews, 115 (10), 4400, 2015.
11.
PENG X., XIE T.T., TANG M.X., CHENG Y., PENG Y., WEI F.H., CAO L.M., YU K.Y., DU K., HE L.Y., HUANG X.F. Critical role of secondary organic aerosol in urban atmospheric visibility improvement identified by machine learning. Environmental Science & Technology Letters, 10 (11), 976, 2023.
12.
LIU F.B., XU T.C., NG N.L., LU H. Linking cell health and reactive oxygen species from secondary organic aerosols exposure. Environmental Science & Technology, 57 (2), 1039, 2023.
13.
MANDAL D., CHAKRABORTY A., TRIPATHI S. Spatial heterogeneity of indoor carbonaceous aerosol levels and characteristics: Comparison with the outdoors and implications for secondary organic aerosol formation and health effects. Journal of Atmospheric Chemistry, 82 (2), 11, 2025.
14.
KIM H., KANG D., JUNG H.Y., JEON J., LEE J.Y. Review of smog chamber experiments for secondary organic aerosol formation. Atmosphere, 15 (1), 115, 2024.
15.
KUMAR V., SLOWIK J.G., BALTENSPERGER U., PREVOT A.S.H., BELL D.M. Time-resolved molecular characterization of secondary organic aerosol formed from OH and NO3 radical initiated oxidation of a mixture of aromatic precursors. Environmental Science & Technology, 57 (31), 11572, 2023.
16.
WANG W.C., HUANG M.Q., HU H.M., ZHAO W.X., HU C.J., GU X.J., ZHANG W.J. Characterization of chemical components and optical properties of toluene secondary organic aerosol in presence of ferric chloride fine particles. Atmosphere, 14 (7), 1075, 2023.
17.
ZHU M.C., HUANG M.Q., ZHANG L.M., CAI S.Y., ZHAO W.X., HU C.J., GU X.J., ZHANG W.J. Experimental study on composition and optic of secondary organic aerosol generated by aqueous photoxidation of toluene in presence of copper ions. Polish Journal of Environmental Studies, 34 (1), 985, 2025.
18.
LASKIN J., LASKIN A., NIZKORODOV S.A. Mass spectrometry analysis in atmospheric chemistry. Analytical Chemistry, 90 (1), 166, 2018.
19.
CHEN J.D., JIANG S.P., YANG P.H., WANG L. Radiation source analysis of beamline stations at fourth-generation synchrotron light facility. Radiation Measurements, 189, 107528, 2025.
20.
DANG M., LIU R.D., DONG F.S., LIU B., HOU K.Y. Vacuum ultraviolet photoionization on-line mass spectrometry: Instrumentation developments and applications. TrAC Trends in Analytical Chemistry, 149, 116542, 2022.
21.
QIAN B., HU Y.H., XU M.G., YANG J.Z., LIU C.Y., PAN Y. Online exploring the gaseous oil fumes from oleic acid thermal oxidation by synchrotron radiation photoionization mass spectrometry. Journal of the American Society for Mass Spectrometry, 34 (12), 2680, 2023.
22.
FANG W.Z., GONG L., SHAN X.B., LIU F.Y., WANG Z.Y., SHENG L.S. Thermal desorption/tunable vacuum-ultraviolet time-of-flight photoionization aerosol mass spectrometry for investigating secondary organic aerosols in chamber experiments. Analytical Chemistry, 83 (23), 9024, 2011.
23.
CANAGARATNA M.R., MASSOLI P., BROWNE E.C., FRANKLIN J.P., WILSON K.R., ONASCH T.B., KIRCHSTRTTER T.W., FORTNER E.C., KOLB C.E., JAYNE J.T., KROLL J.H., WORSNOP D.R. Chemical compositions of black carbon particle cores and coatings via soot particle aerosol mass spectrometry with photoionization and electron ionization. The Journal of Physical Chemistry A, 119 (19), 4589, 2015.
24.
HU C.J., HUANG M.Q., LI B., WEI N.N., HU R.Z., MIKUŠKA P., VEČEŘA Z., GAI Y. B., LIN X.X., GU X.J., ZHAO W.X., ZHANG W.J., ZHANG H., CHEN J., LIU F.Y., SHAN X.B., SHENG L.S., LIU X.Y. On-line characterization of squalane aerosols using thermal desorption/tunable vacuum ultraviolet time-of-flight photoionization aerosol mass spectrometry. Talanta, 293, 128044, 2025.
25.
HUANG M.Q., SHAN X.B., SHENG L.S., WANG Z.Y., HU C.J., GU X.J., ZHANG W.J. On-line measurement of styrene secondary organic aerosol using synchrotron radiation vacuum ultraviolet photoionization aerosol mass spectrometer. Chinese Journal of Analytical Chemistry, 52 (8), 1200, 2024 [in Chinese].
26.
HUANG M.Q., XU J., CAI S.Y., LIU X.Q., HU C,J., GU X,J., FANG L., ZHANG W.J. Mass spectral analysis of the aged 1,3,5-trimethylbenzene secondary organic aerosol in the presence of ammonium sulfate seeds. Polish Journal of Environmental Studies, 26 (4), 1531, 2017.
27.
CARLTON A.G., TURPIN B.J., ALTIERI K.E., SEITZINGER S., REFF A., LIM H.J., ERVENS B. Atmospheric oxalic acid and SOA production from glyoxal: Results of aqueous photooxidation experiments. Atmospheric Environment, 41 (35), 7588, 2007.
28.
ZHANG W., HUANG M.Q., LU T.T., CAI S.Y., ZHAO W.X., HU C.J., GU X.J., ZHANG W.J. Characterization of nitro-aromatic compounds of ethylbenzene secondary organic aerosol with acidic sodium nitrate fine particles. Polish Journal of Environmental Studies, 31 (1), 451, 2022.
29.
ZANG X.Y., ZHANG Z.Y., WANG C., WANG T.T., ZHENG H.J., XIE H., YANG J.Y., DAI D.X., WU G.R., ZHANG W.Q., LI G., YANG X.M., JIANG L. Vacuum ultraviolet free-electron laser photoionization mass spectrometry of alpha-pinene ozonolysis. Chinese Journal of Chemical Physics, 35 (2), 281, 2022.
30.
LU K.T., EIDEN G.C., WEISSHAAR J.C. Toluene cation: Nearly free rotation of the methyl group. The Journal of Physical Chemistry, 96 (24), 9742, 1992.
31.
KLASINC L., KOVAC B. GUSTEN H. Photoelectron spectra of acenes. Electronic structure and substituent effects. Pure and Applied Chemistry, 55 (2), 289, 1983.
32.
SELIM E.T.M., HELAL A.I. The study of C1-C3 monosubstituted alkyl benzenes by the inverse convolution of first differential ionization efficiency curves. Organic Mass Spectrometry, 17 (11), 539, 1982.
33.
KOBAYASHI H., KOBAYASHI M., KAIZU Y. Molecular complexes of arenetri carbonylchromium. Bulletin of the Chemical Society of Japan, 46 (10), 3109, 1973.
34.
WEST C.P., HSU Y.J., MACFEELY K.T., HUSTON S.M., ARIDJIS-OLIVOS B.P., MORALES A.C., LASKIN A. Volatility measurements of individual components in organic aerosol mixtures using temperature-programmed desorption-direct analysis in real time-high resolution mass spectrometry. Analytical Chemistry, 95 (19), 7403, 2023.
35.
GLOAGUEN E., MYSAK E.R., LEONE S.R., AHMED M., WILSON K.R. Investigating the chemical composition of mixed organic-inorganic particles by "soft" vacuum ultraviolet photoionization: The reaction of ozone with anthracene on sodium chloride particles. International Journal of Mass Spectrometry, 258 (1-3), 74, 2006.
36.
ZHANG P., MA P.K., ZHANG H.X., SHU J.N., YANG B., LI Z. Application of VUV-PIMS coupled with GC-MS in chemical characterization, identification and comparative analysis of organic components in both vehicular-derived SOA and haze particles. Atmospheric Environment, 164, 250, 2017.
37.
FANG W.Z., GONG L., ZHANG Q., CAO M.Q., LI Y.Q., SHENG L.S. Measurements of secondary organic aerosol formed from OH-initiated photo-oxidation of isoprene using online photoionization aerosol mass spectrometry. Environmental Science & Technology, 46 (7), 3898, 2012.
38.
TAKEKAWA H., MINOURA H., YAMAZAK S. Temperature dependence of secondary organic aerosol formation by photo-oxidation of hydrocarbons. Atmospheric Environment, 37 (24), 3413, 2003.
39.
KLAPSTEIN D., MACPHERSON C.D., O'BRIEN R.T. The photoelectron spectra and electronic structure of 2-carbonyl furans. Canadian Journal of Chemistry, 68 (5), 747, 1990.
40.
REED R.I., BRAND J.C.D. Electron impact studies. Part 4. Glyoxal, methylglyoxal and diacetyl. Transactions of the Faraday Society, 54, 478, 1958.
41.
WATANABE K. Ionization potentials of some molecules. The Journal of Chemical Physics, 26 (3), 542, 1957.
42.
BEHAN J.M., JOHNSTONE R.A.W., BENTLEY T.W. An evaluation of empirical methods for calculating the ionization potentials of substituted benzenes. Journal of Mass Spectrometry, 11 (2), 207, 1976.
43.
MAIER J.P., TURNER D.W. Steric inhibition of resonance studied by molecular photoelectron spectroscopy. Part 2. Phenylethylenes, Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, 69, 196, 1973.
44.
CRABLE G.F., KEARNS G.L. Effect of substituent groups on the ionization potentials of benzenes. The Journal of Physical Chemistry, 66 (3), 436, 1962.
45.
HALGREN T.A. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. Journal of Computational Chemistry, 17 (5-6), 490, 1996.
46.
FRISCH M.J., TRUCKS G.W., SCHLEGEL H.B., SCUSERIA G.E., ROBB M.A., CHEESEMAN J.R., SCALMANI G., BARONE V., MENNUCCI B., PETERSSON G.A., NAKATSUJI H., CARICATO M., LI X., HRATCHIAN H.P., IZMAYLOV A.F., BLOINO J., ZHEN G., SONNENBERG J.L., HADA M., EHARA M., TOYOTA K., FUKUDA R., HASEGAWA J., ISHIDA M., NAKAJIMA T., HONDA Y., KITAO O., NAKAI H., VREVEN T., MONTGOMERY J.A.JR., PERALTA J.E., OGLIARO F., BEARPARK M., HEYD J.J., BROTHERS E., KUDIN K.N., STARVEROV V.N., KOBAYASHI R., NORMAND J., RAGHAVACHARI K., RENDELL A., BURANT J.C., IYENGAR S.S., TOMASI J., COSSI M., REGA N., MILLAM J.M., KLENE M., KNOX J.E., CROSS J.B., BAKKEN V., ADAMO C., JARAMILLO J., GOMPERTS R., STRATMANN R.E., YAZYEV O., AUSTIN A.J., CAMMI R., POMELLI C., OCHTERSKI J.W., MARTIN R.L., MOROKUMA K., ZAKRZEWSKI V.G., VOTH G.A., SALVADOR P., DANNENBERG J.J., DAPPRICH S., DANIELS A.D., FARKAS O., FORESMAN J.B., ORITIZ J.V., CIOSLOWSKI J., FOX D.J. Gaussian 09, Revision A.01, Gaussian Inc., Wallingford CT, 2009.
47.
CHAI J.D., HEAD-GORDON M. Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections. Physical Chemistry Chemical Physics, 10 (44), 6615, 2008.
48.
SPIEKERMANN K., PATTANAIK L., GREEN W.H. High accuracy barrier heights, enthalpies, and rate coefficients for chemical reactions. Scientific Data, 9, 417, 2022.
49.
IRIKURA K.K., JOHNSON III R.D., KACKER R.N., KESSEL R. Uncertainties in scaling factors for ab initio vibrational zero-point energies. The Journal of Chemical Physics, 130 (11), 114102, 2009. https://doi.org/10.1063/1.3086....
50.
SUH I., ZHANG R.Y., MOLINA L.T., MOLINA M.J. Oxidation mechanism of aromatic peroxy and bicyclic radicals from OH-toluene reactions. Journal of the American Chemical Society, 125 (41), 12655, 2003.
51.
LIN P., LIU J.M, SHILLING J.E., KATHMANN S.M., LASKIN J., LASKIN A. Molecular characterization of brown carbon (BrC) chromophores in secondary organic aerosol generated from photo-oxidation of toluene. Physical Chemistry Chemical Physics, 17 (36), 23312, 2015.
52.
JANG M., KAMENS R.M. Characterization of secondary aerosol from the photo- oxidation of toluene in the presence of NOx and 1-propene. Environmental Science & Technology, 35 (18), 3626, 2001. https://doi.org/10.1021/es0106...+.
53.
MOLTENI U., BIANCHI F., KLEIN F., EL HADDAD I., FREGE C., ROSSI M.J., DOMMEN J., BALTENSPERGER U. Formation of highly oxygenated organic molecules from aromatic compounds. Atmospheric Chemistry and Physics, 18 (3), 1909, 2018.
54.
DONG Z.K., TANG R.Y., LIU H.F., ZHANG Q.Z., ZONG W.S., CHENG J.M., SHI X.L. The formation mechanism of highly oxygenated organic molecules produced by toluene in the urban atmosphere. Atmospheric Environment, 295, 119555, 2023.
55.
ALTIERI K.E., SEITZINGER S.P., CARLTON A.G., TURPIN B.J., KLEIN G.C., MARSHALL A.G. Oligomers formed through in-cloud methylglyoxal reactions: Chemical composition, properties, and mechanisms investigated by ultra-high resolution FT-ICR mass spectrometry. Atmospheric Environment, 42 (7), 1476, 2023.
56.
MARKOVIĆ S., TOŠOVIĆ J. Application of time-dependent density functional and natural bond orbital theories to the UV-vis absorption spectra of some phenolic compounds. The Journal of Physical Chemistry A, 119 (35), 9352, 2015.
57.
SATO K., TAKAMI A., ISOZAKI T., HIKIDA T., SHIMONO A., IMAMURA T. Mass spectrometric study of secondary organic aerosol formed from the photo-oxidation of aromatic hydrocarbons. Atmospheric Environment, 44 (8), 1080, 2010.
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