{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,3]],"date-time":"2026-09-03T11:12:41Z","timestamp":1788433961982,"version":"build-2803163510"},"reference-count":41,"publisher":"American Chemical Society (ACS)","issue":"13","license":[{"start":{"date-parts":[[2016,10,27]],"date-time":"2016-10-27T00:00:00Z","timestamp":1477526400000},"content-version":"vor","delay-in-days":962,"URL":"https:\/\/pubs.acs.org\/page\/policy\/authorchoice_termsofuse.html"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2014,4,3]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>The IR spectrum of dichlorodifluoromethane (i.e., R12 or Freon-12) is central to its role as a major greenhouse contributor. In this study, high-resolution (0.000\u200996 cm\u20131) Fourier transform infrared spectra have been measured for R12 samples either cooled to around 150 K or at ambient temperature using facilities on the infrared beamline of the Australian Synchrotron. Over 14\u2009000 lines of C35Cl2F2 and C35Cl37ClF2 were assigned to the b-type \u03bd2 band centered around 668 cm\u20131. For the c-type \u03bd8 band at 1161 cm\u20131, over 10\u2009000 lines were assigned to the two isotopologues. Rovibrational fits resulted in upper state constants for all these band systems. Localized avoided crossings in the \u03bd8 system of C35Cl2F2, resulting from both a direct b-axis Coriolis interaction with \u03bd3 + \u03bd4 + \u03bd7 and an indirect interaction with \u03bd3 + \u03bd4 + \u03bd9, were treated. An improved set of ground state constants for C35Cl37ClF2 was obtained by a combined fit of IR ground state combination differences and previously published millimeter wave lines. Together these new sets of constants allow for accurate prediction of these bands and direct comparison with satellite data to enable accurate quantification.<\/jats:p>","DOI":"10.1021\/jp501302q","type":"journal-article","created":{"date-parts":[[2014,3,10]],"date-time":"2014-03-10T18:22:44Z","timestamp":1394475764000},"page":"2480-2487","source":"Crossref","is-referenced-by-count":5,"title":["IR Band\nProfiling of Dichlorodifluoromethane in the\nGreenhouse Window: High-Resolution FTIR Spectroscopy of \u03bd2 and \u03bd8"],"prefix":"10.1021","volume":"118","author":[{"given":"Corey J.","family":"Evans","sequence":"first","affiliation":[{"name":"University of Leicester , , University Road , ,","place":["Leicester, U.K., LE1 7RH"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Atilla","family":"Sinik","sequence":"additional","affiliation":[{"name":"La Trobe University , , ,","place":["Victoria, Australia, 3086"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Chris","family":"Medcraft","sequence":"additional","affiliation":[{"name":"Monash University , ,","place":["Victoria, Australia, 3800"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Don","family":"McNaughton","sequence":"additional","affiliation":[{"name":"Monash University , ,","place":["Victoria, Australia, 3800"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Dominique","family":"Appadoo","sequence":"additional","affiliation":[{"name":"Australian Synchrotron , 800 Blackburn Road , , ,","place":["Clayton, Victoria, Australia, 3168"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Evan G.","family":"Robertson","sequence":"additional","affiliation":[{"name":"La Trobe University , , ,","place":["Victoria, Australia, 3086"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2014,3,10]]},"reference":[{"key":"2026090306161096500_cit1","volume-title":"Contribution of Working Group I to the Fourth\nAssessment Report of the Intergovernmental Panel on Climate Change","author":"Solomon","year":"2007"},{"key":"2026090306161096500_cit2","first-page":"S60","article-title":"[Global Climate]\nAtmospheric Composition [in \u2033State\nof the Climate in 2010\u2033]","volume":"92","author":"Elkins","year":"2011","journal-title":"B Am. Meteorol.\nSoc."},{"key":"2026090306161096500_cit3","doi-asserted-by":"crossref","first-page":"12694","DOI":"10.1021\/jp905097g","article-title":"Identifying the Molecular Origin\nof Global Warming","volume":"113","author":"Bera","year":"2009","journal-title":"J. Phys. Chem. A"},{"key":"2026090306161096500_cit4","doi-asserted-by":"crossref","first-page":"17751","DOI":"10.1029\/2000JD900141","article-title":"A History\nof Chemically and Radiatively Important Gases\nin Air Deduced from ALE\/GAGE\/AGAGE","volume":"105","author":"Prinn","year":"2000","journal-title":"J. Geophys.\nRes., [Atmos.]"},{"key":"2026090306161096500_cit5","unstructured":"Advanced\nGlobal Atmospheric Gases Experiment. http:\/\/agage.eas.gatech.edu\/."},{"key":"2026090306161096500_cit6","doi-asserted-by":"crossref","first-page":"4130","DOI":"10.1029\/2002JD002649","article-title":"Spectroscopic\nMeasurements of Halocarbons\nand Hydrohalocarbons by Satellite-Borne Remote Sensors","volume":"108","author":"Coheur","year":"2003","journal-title":"J. Geophys. Res., [Atmos.]"},{"key":"2026090306161096500_cit7","doi-asserted-by":"crossref","first-page":"548","DOI":"10.1016\/0022-2852(86)90190-6","article-title":"The Millimeter-Wave Spectrum of CCl2F2","volume":"118","author":"Booker","year":"1986","journal-title":"J. Mol. Spectrosc."},{"key":"2026090306161096500_cit8","doi-asserted-by":"crossref","first-page":"167","DOI":"10.1016\/0022-2852(83)90014-0","article-title":"The Microwave-Spectrum,\nHarmonic\nForce-Field, and Structure of Difluorodichloromethane","volume":"101","author":"Davis","year":"1983","journal-title":"J. Mol. Spectrosc."},{"key":"2026090306161096500_cit9","doi-asserted-by":"crossref","first-page":"636","DOI":"10.1246\/bcsj.50.636","article-title":"Microwave-Spectrum of Dichlorodifluoromethane","volume":"50","author":"Takeo","year":"1977","journal-title":"Bull. Chem. Soc. Jpn."},{"key":"2026090306161096500_cit10","doi-asserted-by":"crossref","first-page":"330","DOI":"10.1063\/1.433629","article-title":"Nuclear-Quadrupole\nCoupling Effects in Microwave-Spectrum\nof Dichlorodifluoromethane","volume":"66","author":"Su","year":"1977","journal-title":"J. Chem. Phys."},{"key":"2026090306161096500_cit11","doi-asserted-by":"crossref","first-page":"26","DOI":"10.1006\/jmsp.1999.7981","article-title":"Millimeter-Wave\nSpectrum of CCl2F2, Taking into Account the\nHyperfine Structure","volume":"199","author":"Baskakov","year":"2000","journal-title":"J. Mol. Spectrosc."},{"key":"2026090306161096500_cit12","doi-asserted-by":"crossref","first-page":"283","DOI":"10.1016\/0022-2852(86)90154-2","article-title":"Double-Resonance Spectroscopy\nof Freon-12 - Hot Bands of CF235Cl2 and CF235Cl37Cl and the v6 Fundamental of CF237Cl2","volume":"117","author":"Taubmann","year":"1986","journal-title":"J. Mol. Spectrosc."},{"key":"2026090306161096500_cit13","doi-asserted-by":"crossref","first-page":"255","DOI":"10.1002\/jrs.1250220504","article-title":"Raman and Infrared-Spectra of the Solid Chlorofluorocarbons.\nII-Dichlorodifluoromethane","volume":"22","author":"LeBlanc","year":"1991","journal-title":"J. Raman Spectrosc."},{"key":"2026090306161096500_cit14","unstructured":"Robertson, E. G.; Medcraft, C.; McNaughton, D.; Appadoo, D.\n          The Limits of Rovibrational Analysis:\nthe Severely Entangled \u03bd1 Vibration of Dichlorodifluoromethane\nin the Greenhouse IR\nWindow.\n          Manuscript in preparation."},{"key":"2026090306161096500_cit15","doi-asserted-by":"crossref","first-page":"389","DOI":"10.1016\/0022-2852(79)90084-5","article-title":"Infrared-Spectrum\nand Molecular-Force Field of CCl2F2","volume":"75","author":"Giorgianni","year":"1979","journal-title":"J. Mol. Spectrosc."},{"key":"2026090306161096500_cit16","doi-asserted-by":"crossref","first-page":"L37","DOI":"10.1051\/jphyslet:0197900400303700","article-title":"First Study of the\n\u03bd6 Fundamental of CCl2F2","volume":"40","author":"Nordstrom","year":"1979","journal-title":"J. Phys. Lett.-Paris"},{"key":"2026090306161096500_cit17","doi-asserted-by":"crossref","first-page":"87","DOI":"10.1016\/0022-2852(82)90033-9","article-title":"The 923 cm\u20131 Band of (C35Cl2F2), Studied by Infrared Microwave Double-Resonance","volume":"91","author":"Jones","year":"1982","journal-title":"J. Mol. Spectrosc."},{"key":"2026090306161096500_cit18","doi-asserted-by":"crossref","first-page":"179","DOI":"10.1016\/0022-2852(85)90079-7","article-title":"The \u03bd6 Band of C35Cl37ClF2 from IR-MW Double-Resonance","volume":"111","author":"Jones","year":"1985","journal-title":"J. Mol. Spectrosc."},{"key":"2026090306161096500_cit19","first-page":"27","article-title":"High-Resolution Spectroscopy of Dichlorodifluoromethane in a Molecular\nJet","volume":"B45","author":"Meerts","year":"1988","journal-title":"Appl. Phys. B: Laser Opt."},{"key":"2026090306161096500_cit20","doi-asserted-by":"crossref","first-page":"230","DOI":"10.1016\/0022-2852(90)90317-J","article-title":"Infrared Study of the \u03bd1 Band of CCl2F2 by Diode-Laser Spectroscopy","volume":"144","author":"Giorgianni","year":"1990","journal-title":"J. Mol. Spectrosc."},{"key":"2026090306161096500_cit21","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/0022-2860(95)08574-F","article-title":"High-Resolution FTIR Spectroscopy\nof CFCs in a Supersonic Jet Expansion","volume":"348","author":"McNaughton","year":"1995","journal-title":"J. Mol.\nStruct."},{"key":"2026090306161096500_cit22","doi-asserted-by":"crossref","first-page":"1055","DOI":"10.1039\/FT9949001055","article-title":"High-Resolution FTIR Jet Spectroscopy\nof CCl2F2","volume":"90","author":"McNaughton","year":"1994","journal-title":"J. Chem. Soc.,\nFaraday Trans."},{"key":"2026090306161096500_cit23","doi-asserted-by":"crossref","first-page":"7958","DOI":"10.1021\/ac101425d","article-title":"Overview of High-Resolution Infrared Measurement and\nAnalysis for Atmospheric Monitoring of Halocarbons","volume":"82","author":"McNaughton","year":"2010","journal-title":"Anal. Chem."},{"key":"2026090306161096500_cit24","first-page":"1531","article-title":"Analysis of the \u03bd3+\u03bd7 Combination Band of CF2Cl2 from Spectra Obtained by High Resolution Diode Laser and\nFTIR Supersonic Jet Techniques","volume":"4","author":"D\u2019Amico","year":"2002","journal-title":"Phys. Chem.\nChem. Phys."},{"key":"2026090306161096500_cit25","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.jms.2010.04.006","article-title":"High-resolution\nInfrared Spectroscopy with Synchrotron Sources","volume":"262","author":"McKellar","year":"2010","journal-title":"J. Mol. Spectrosc."},{"key":"2026090306161096500_cit26","doi-asserted-by":"crossref","first-page":"203","DOI":"10.1016\/j.cplett.2008.10.011","article-title":"High Resolution Synchrotron FTIR Spectroscopy of the\nFar Infrared \u03bd10 and \u03bd11 Bands of\nR152a (CH3CHF2)","volume":"465","author":"Chimdi","year":"2008","journal-title":"Chem.\nPhys. Lett."},{"key":"2026090306161096500_cit27","doi-asserted-by":"crossref","first-page":"3946","DOI":"10.1063\/1.1400158","article-title":"Liquid-Helium Temperature\nLong-Path Infrared Spectroscopy of Molecular Clusters and Supercooled\nMolecules","volume":"72","author":"Bauerecker","year":"2001","journal-title":"Rev. Sci. Instrum."},{"key":"2026090306161096500_cit28","doi-asserted-by":"crossref","first-page":"458","DOI":"10.1016\/0022-2852(91)90301-P","article-title":"High-Resolution FTIR Analysis of\nthe \u03bd1 Band of Tricarbon Monoxide - Production of\nTricarbon Monoxide and Chloroacetylenes by Pyrolysis of Fumaroyl Dichloride","volume":"149","author":"McNaughton","year":"1991","journal-title":"J. Mol. Spectrosc."},{"key":"2026090306161096500_cit29","volume-title":"PGOPHER A Program\nfor Simulating Rotational Structure, Version 7.1.108","author":"Western","year":"2010"},{"key":"2026090306161096500_cit30","doi-asserted-by":"crossref","first-page":"371","DOI":"10.1016\/0022-2852(91)90393-O","article-title":"The Fitting\nand Prediction of Vibration-Rotation Spectra with Spin Interactions","volume":"148","author":"Pickett","year":"1991","journal-title":"J. Mol. Spectrosc."},{"key":"2026090306161096500_cit31","volume-title":"Vibrational\nSpectra and Structure: A Series of Advances","author":"Watson","year":"1977"},{"key":"2026090306161096500_cit32","doi-asserted-by":"crossref","first-page":"13732","DOI":"10.1021\/jp407822g","article-title":"FTIR Spectroscopy of\nNO3: Perturbation Analysis of the \u03bd3+\u03bd4 State","volume":"117","author":"Kawaguchi","year":"2013","journal-title":"J. Phys. Chem. A"},{"key":"2026090306161096500_cit33","doi-asserted-by":"crossref","first-page":"1687","DOI":"10.1080\/00268970410001725785","article-title":"Completing the Picture in the Rovibrational\nAnalysis of Chlorodifluoromethane (CHClF2): \u03bd3 and \u03bd8","volume":"102","author":"Thompson","year":"2004","journal-title":"Mol. Phys."},{"key":"2026090306161096500_cit34","doi-asserted-by":"crossref","first-page":"13093","DOI":"10.1021\/jp105268m","article-title":"High-Accuracy Thermochemistry\nof Atmospherically Important Fluorinated and Chlorinated Methane Derivatives","volume":"114","author":"Csontos","year":"2010","journal-title":"J. Phys. Chem. A"},{"key":"2026090306161096500_cit35","doi-asserted-by":"crossref","first-page":"1996","DOI":"10.1039\/b300689a","article-title":"Reading Between the Lines: Exposing\nUnderlying Features of High Resolution Infrared Spectra (CHClF2)","volume":"5","author":"Thompson","year":"2003","journal-title":"Phys. Chem. Chem. Phys."},{"key":"2026090306161096500_cit36","doi-asserted-by":"crossref","first-page":"56","DOI":"10.1016\/j.jms.2006.04.009","article-title":"Maximising\nRovibrational Assignments in the \u03bd1 Band of NSCl\nby Spectral Analysis by Subtraction of Simulated\nIntensities (SASSI)","volume":"238","author":"Robertson","year":"2006","journal-title":"J. Mol. Spectrosc."},{"key":"2026090306161096500_cit37","doi-asserted-by":"crossref","first-page":"5728","DOI":"10.1021\/jp100438z","article-title":"Infrared Spectra of 12CF2=12CH2 and 12CF2=13CH2: Quantum-Chemical Calculations\nof Anharmonicity, and Analyses of Resonances","volume":"114","author":"McKean","year":"2010","journal-title":"J. Phys. Chem. A"},{"key":"2026090306161096500_cit38","doi-asserted-by":"crossref","first-page":"224306","DOI":"10.1063\/1.3664624","article-title":"High-Resolution\nFourier-Transform Infrared Spectroscopy of the \u03bd6 and Coriolis Perturbation Allowed \u03bd10 Modes of\nKetenimine","volume":"135","author":"Bane","year":"2011","journal-title":"J. Chem. Phys."},{"key":"2026090306161096500_cit39","doi-asserted-by":"crossref","first-page":"6793","DOI":"10.1039\/C0CP01816C","article-title":"High-Resolution\nFTIR Spectroscopy of the \u03bd8 and Coriolis Perturbation\nAllowed \u03bd12 Bands of Ketenimine","volume":"13","author":"Bane","year":"2011","journal-title":"Phys. Chem. Chem. Phys."},{"key":"2026090306161096500_cit40","doi-asserted-by":"crossref","first-page":"325","DOI":"10.1351\/pac196511030325","article-title":"Coriolis\nInteractions, Intensity Perturbations and Potential Functions in Polyatomic\nMolecules","volume":"11","author":"Mills","year":"1965","journal-title":"Pure Appl. Chem."},{"key":"2026090306161096500_cit41","doi-asserted-by":"crossref","first-page":"2233","DOI":"10.1063\/1.1672321","article-title":"First Order Intensity Perturbations\nfor the Vibration-Rotation\nLines of Asymmetric Rotor: Theory and Application","volume":"51","author":"Braslawsky","year":"1969","journal-title":"J. Chem. Phys."}],"container-title":["The Journal\nof Physical Chemistry A"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/jp501302q","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/jpcafh\/article-pdf\/118\/13\/2480\/14277291\/jp501302q.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/pubs.acs.org\/jpcafh\/article-pdf\/118\/13\/2480\/14277291\/jp501302q.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,9,3]],"date-time":"2026-09-03T10:16:22Z","timestamp":1788430582000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/jpcafh\/article\/118\/13\/2480\/1373559\/IR-Band-Profiling-of-Dichlorodifluoromethane-in"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2014,3,10]]},"references-count":41,"journal-issue":{"issue":"13","published-online":{"date-parts":[[2014,3,10]]},"published-print":{"date-parts":[[2014,4,3]]}},"URL":"https:\/\/doi.org\/10.1021\/jp501302q","relation":{},"ISSN":["1089-5639","1520-5215"],"issn-type":[{"value":"1089-5639","type":"print"},{"value":"1520-5215","type":"electronic"}],"subject":[],"published":{"date-parts":[[2014,3,10]]}}}