{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,18]],"date-time":"2026-07-18T17:29:55Z","timestamp":1784395795655,"version":"3.55.0"},"reference-count":62,"publisher":"Wiley","issue":"7","license":[{"start":{"date-parts":[[2025,1,24]],"date-time":"2025-01-24T00:00:00Z","timestamp":1737676800000},"content-version":"am","delay-in-days":351,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#am"},{"start":{"date-parts":[[2024,2,8]],"date-time":"2024-02-08T00:00:00Z","timestamp":1707350400000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"funder":[{"DOI":"10.13039\/100000015","name":"U.S. Department of Energy","doi-asserted-by":"publisher","award":["DE-AC02- 05CH11231"],"award-info":[{"award-number":["DE-AC02- 05CH11231"]}],"id":[{"id":"10.13039\/100000015","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["chemistry-europe.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["ChemPhysChem"],"published-print":{"date-parts":[[2024,4,2]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>Chlorinated organic compounds are prominently used for industrial production, but their vapors and emission byproducts can cause detrimental effects to human health and the environment. To accurately quantify organochlorine compounds, the absolute photoionization cross section of tetrachloroethylene, chlorobenzene, 1,2\u2010dichlorobenzene, and chloroacetone are measured using multiplexed synchrotron photoionization mass spectrometry at the Advanced Light Source at Lawrence Berkeley National Laboratory. These measurements allow for the estimation of the C\u2212Cl photoionization cross section, increasing quantification accuracy of chlorinated emissions for kinetic modeling and pollutant mitigation. CBS\u2010QB3 calculations of adiabatic ionization energies and thermochemical appearance energies are also presented and agree well with the experimental results.<\/jats:p>","DOI":"10.1002\/cphc.202300896","type":"journal-article","created":{"date-parts":[[2024,1,24]],"date-time":"2024-01-24T12:29:09Z","timestamp":1706099349000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["Estimate of the C\u2212Cl photoionization cross section and absolute photoionization cross sections of chlorinated organic compounds"],"prefix":"10.1002","volume":"25","author":[{"given":"Yilan Lori","family":"Chen","sequence":"first","affiliation":[{"name":"Department of Chemistry University of San Francisco  94117 San Francisco CA USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Craig A.","family":"Taatjes","sequence":"additional","affiliation":[{"name":"Combustion Research Facility Sandia National Laboratories  94550 Livermore CA USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1697-5104","authenticated-orcid":false,"given":"Giovanni","family":"Meloni","sequence":"additional","affiliation":[{"name":"Department of Chemistry University of San Francisco  94117 San Francisco CA USA"},{"name":"Department of Biological and Chemical Sciences New York Institute of Technology  11568 Old Westbury NY USA"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2024,2,8]]},"reference":[{"key":"e_1_2_8_1_1","doi-asserted-by":"publisher","DOI":"10.1002\/jctb.6308"},{"key":"e_1_2_8_2_1","doi-asserted-by":"publisher","DOI":"10.1080\/10408340903547054"},{"key":"e_1_2_8_3_1","doi-asserted-by":"publisher","DOI":"10.1039\/D1GC01735G"},{"key":"e_1_2_8_4_1","first-page":"12","volume-title":"Basic Inorganic Chemistry","author":"Cotton F. A.","year":"1995"},{"key":"e_1_2_8_5_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.8b00408"},{"key":"e_1_2_8_6_1","doi-asserted-by":"publisher","DOI":"10.1016\/S1074-5521(97)90285-4"},{"key":"e_1_2_8_7_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jes.2022.08.011"},{"key":"e_1_2_8_8_1","doi-asserted-by":"publisher","DOI":"10.1289\/ehp.1307055"},{"key":"e_1_2_8_9_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.scitotenv.2012.04.003"},{"key":"e_1_2_8_10_1","volume-title":"Fluorides and Fluorocarbons Toxicity","author":"Hays H.","year":"2017"},{"key":"e_1_2_8_11_1","first-page":"28","volume":"2","author":"Rani B.","year":"2011","journal-title":"J. Adv. Sci. Res."},{"key":"e_1_2_8_12_1","doi-asserted-by":"publisher","DOI":"10.1021\/es3049465"},{"key":"e_1_2_8_13_1","doi-asserted-by":"publisher","DOI":"10.2298\/CICEQ220311011P"},{"key":"e_1_2_8_14_1","doi-asserted-by":"publisher","DOI":"10.3155\/1047-3289.59.4.405"},{"key":"e_1_2_8_15_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cej.2013.05.076"},{"key":"e_1_2_8_16_1","unstructured":"National Research Council and Committee on Acute Exposure Guideline Levels Sixteenth Interim Report of the Committee on Acute Exposure Guideline Levels. National Academies Press (US) 2009."},{"key":"e_1_2_8_17_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.3609757"},{"key":"e_1_2_8_18_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.2010307"},{"key":"e_1_2_8_19_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijms.2005.08.018"},{"key":"e_1_2_8_20_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.3000004"},{"key":"e_1_2_8_21_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijms.2013.04.020"},{"key":"e_1_2_8_22_1","doi-asserted-by":"publisher","DOI":"10.1021\/jp8022937"},{"key":"e_1_2_8_23_1","doi-asserted-by":"publisher","DOI":"10.1021\/j100146a018"},{"key":"e_1_2_8_24_1","doi-asserted-by":"publisher","DOI":"10.1002\/jms.3638"},{"key":"e_1_2_8_25_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.3698282"},{"key":"e_1_2_8_26_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.477924"},{"key":"e_1_2_8_27_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.481224"},{"key":"e_1_2_8_28_1","unstructured":"J. Frisch G. Trucks H. Schlegel G. Scuseria M. Robb J. Cheeseman Gaussian 09 Software 2016."},{"key":"e_1_2_8_29_1","unstructured":"D. Roy K. Todd M. John GaussView Version\u20056 2019."},{"key":"e_1_2_8_30_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.3491272"},{"key":"e_1_2_8_31_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0368-2048(02)00032-4"},{"key":"e_1_2_8_32_1","doi-asserted-by":"publisher","DOI":"10.1016\/0020-7381(69)80040-9"},{"key":"e_1_2_8_33_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.1725748"},{"key":"e_1_2_8_34_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.2721539"},{"key":"e_1_2_8_35_1","doi-asserted-by":"publisher","DOI":"10.1016\/0301-0104(94)00173-1"},{"key":"e_1_2_8_36_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.459130"},{"key":"e_1_2_8_37_1","doi-asserted-by":"publisher","DOI":"10.1080\/00268976.2012.728256"},{"key":"e_1_2_8_38_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0031-8914(34)90011-2"},{"key":"e_1_2_8_39_1","doi-asserted-by":"publisher","DOI":"10.1098\/rspa.1970.0046"},{"key":"e_1_2_8_40_1","volume-title":"Higher Excited States of Polyatomic Molecules V3 (Vol.\u20053).","author":"Robin M.","year":"2012"},{"key":"e_1_2_8_41_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.chemphys.2009.10.010"},{"key":"e_1_2_8_42_1","doi-asserted-by":"publisher","DOI":"10.2116\/analsci.19.1109"},{"key":"e_1_2_8_43_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.0c10413"},{"key":"e_1_2_8_44_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijms.2005.08.018"},{"key":"e_1_2_8_45_1","doi-asserted-by":"publisher","DOI":"10.1021\/j150611a007"},{"key":"e_1_2_8_46_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.1589731"},{"key":"e_1_2_8_47_1","doi-asserted-by":"publisher","DOI":"10.1021\/ac00284a006"},{"key":"e_1_2_8_48_1","doi-asserted-by":"publisher","DOI":"10.1039\/p29840001505"},{"key":"e_1_2_8_49_1","doi-asserted-by":"publisher","DOI":"10.1016\/0584-8539(91)80183-J"},{"key":"e_1_2_8_50_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.molstruc.2020.128703"},{"key":"e_1_2_8_51_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.433490"},{"key":"e_1_2_8_52_1","doi-asserted-by":"publisher","DOI":"10.1021\/jasms.1c00136"},{"key":"e_1_2_8_53_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.1724995"},{"key":"e_1_2_8_54_1","doi-asserted-by":"publisher","DOI":"10.1201\/9781420007282"},{"key":"e_1_2_8_55_1","unstructured":"J. Ochterski Thermochemistry in Gaussian Gaussian Inc.2000."},{"key":"e_1_2_8_56_1","doi-asserted-by":"publisher","DOI":"10.1016\/0301-0104(93)E0376-7"},{"key":"e_1_2_8_57_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja00179a044"},{"key":"e_1_2_8_58_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.452268"},{"key":"e_1_2_8_59_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.5b00484"},{"key":"e_1_2_8_60_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cplett.2017.09.027"},{"key":"e_1_2_8_61_1","doi-asserted-by":"publisher","DOI":"10.1039\/F29767201385"},{"key":"e_1_2_8_62_1","first-page":"1010","volume":"40","author":"Cao C.","year":"2000","journal-title":"J. Chem. Inf. Model."}],"container-title":["ChemPhysChem"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/doi\/am-pdf\/10.1002\/cphc.202300896","content-type":"application\/pdf","content-version":"am","intended-application":"syndication"},{"URL":"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/cphc.202300896","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,13]],"date-time":"2025-10-13T13:19:08Z","timestamp":1760361548000},"score":1,"resource":{"primary":{"URL":"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/doi\/10.1002\/cphc.202300896"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,2,8]]},"references-count":62,"journal-issue":{"issue":"7","published-print":{"date-parts":[[2024,4,2]]}},"alternative-id":["10.1002\/cphc.202300896"],"URL":"https:\/\/doi.org\/10.1002\/cphc.202300896","archive":["Portico"],"relation":{},"ISSN":["1439-4235","1439-7641"],"issn-type":[{"value":"1439-4235","type":"print"},{"value":"1439-7641","type":"electronic"}],"subject":[],"published":{"date-parts":[[2024,2,8]]},"assertion":[{"value":"2023-11-23","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2024-02-08","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}],"article-number":"e202300896"}}