@article{87ff8ce31c5249daba522cb5755b349c,
title = "Valence and Rydberg Excitations of 2,4-and 2,6-Difluorotoluene as Studied by Vacuum Ultraviolet Synchrotron Radiation and ab lnitio Calculations",
abstract = "Here we report novel comprehensive investigations on the electronic state spectroscopies of isolated 2,4- and 2,6-difluorotoluene in the gas phase by high-resolution vacuum ultraviolet (VUV) photoabsorption measurements in the 4.4-10.8 eV energy range, with absolute cross-section values derived. We also present the first set of ab initio calculations (vertical energies and oscillator strengths), which we have used in the assignment of valence transitions of the difluorotoluene molecules, together with calculated ionization energies to obtain the Rydberg transitions for both molecules. The measured absolute photoabsorption cross sections have been used to estimate the photolysis lifetimes of 2,4- and 2,6-difluorotoluene in the Earth's atmosphere.",
keywords = "VIBRONIC EMISSION-SPECTRUM , CROSS-SECTION , VUV PHOTOABSORPTION , SPECTROSCOPY , SO2",
author = "Barbosa, {A. Souza} and Silva, {F. Ferreira da} and A. Rebelo and Hoffmann, {S. V.} and Bettega, {M. H. F.} and P. Limao-Vieira",
note = "Sem PDF conforme despacho. info:eu-repo/grantAgreement/FCT/5876/147412/PT# A.S.B. and M.H.F.B. acknowledge the Brazilian Agency Coordenacao de Aperfeicoamento de Pessoal de Nivel Superior (CAPES), under CAPES/FCT Programme (process number 23038.002465/2014-87). M.H.F.B. acknowledges support from the Brazilian agency Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq), and from FINEP (under project CT-Infra). A.S.B. and M.H.F.B. acknowledge computational support from Professor Carlos M. de Carvalho at LFTC-DFis-UFPR, and together with FFS the {"}convenio FCT CAPES no 2267{"}. A.R. and F.F.S. acknowledge the Portuguese National Funding Agency FCT-MCTES through PD/BD/111119/2016 and researcher position IF-FCT IF/00380/2014, and together with PLV the research grant UID/FIS/00068/2013. This work was also supported by Radiation Biology and Biophysics Doctoral Training Programme (RaBBiT, PD/00193/2010); ULD/Multi/04378/2013 (UCIBIO). Authors wish to acknowledge the beam time at the ISA synchrotron facility at Aarhus University, Denmark. We also acknowledge the financial support provided by the European Commission through 13 Integrated Activity on Synchrotron and Free Electron Laser Science (IA-SFS), contract number RII3-CT-2004-506008, under the Research Infrastructure Action of the FP6 EC programme Structuring the European Research Area.",
year = "2016",
month = nov,
day = "17",
doi = "10.1021/acs.jpca.6b07815",
language = "English",
volume = "120",
pages = "8998--9007",
journal = "Journal Of Physical Chemistry A",
issn = "1089-5639",
publisher = "ACS - American Chemical Society",
number = "45",
}