@article{c7195c78785d4c90bfcbdbd959fbcaaa,
title = "The lowest-lying electronic states of isoflurane and sevoflurane in the 5.0–10.8 eV energy range investigated by experimental and theoretical methods",
abstract = "Photoabsorption spectra of isoflurane and sevoflurane have been measured with synchrotron radiation over the photon range 5.0–10.8 eV. Low-lying excited singlet valence and Rydberg states are investigated and the assignments supported by quantum chemical calculations, the latter also helping to identify the triplet states. This provides the first comprehensive investigation of all excited electronic states up to the first ionisation energy. The Rydberg series converging to the ionisation energy limits are identified according to the magnitude of the quantum defects. The measured absolute cross-sections have been used to calculate the photolysis lifetimes of isoflurane and sevoflurane in the Earth's atmosphere.",
keywords = "Ab initio calculations, Calculated singlet and triplet states, Isoflurane, Rydberg states, Sevoflurane, Synchrotron radiation",
author = "E. Lange and {Ferreira da Silva}, F. and Jones, {N. C.} and Hoffmann, {S. V.} and D. Duflot and P. Lim{\~a}o-Vieira",
note = "T.C., M.M., and F.F.S. acknowledge the Portuguese National Funding Agency FCT-MCTES through No. SFRH/BD/52538/2014, PD/BD/106038/2015, and researcher position No. IF-FCT IF/00380/2014, respectively, and together with PLV the research Grant No. UID/FIS/00068/2013. This work was also supported by Radiation Biology and Biophysics Doctoral Training Programme (RaBBiT, No. PD/00193/2010); No. UID/Multi/04378/2013 (UCIBIO). GG acknowledges partial financial support from the Spanish Ministerio de Economia, Industria y Competitividad (Project No. FIS2016-80440). S.E. acknowledges support from the British EPSRC through a Career Acceleration Fellowship (No. EP/J002577/1).",
year = "2019",
month = feb,
day = "1",
doi = "10.1016/j.cplett.2018.12.007",
language = "English",
volume = "716",
pages = "42--48",
journal = "Chemical Physics Letters",
issn = "0009-2614",
publisher = "Elsevier",
}