The lowest-lying electronic states of isoflurane and sevoflurane in the 5.0–10.8 eV energy range investigated by experimental and theoretical methods

E. Lange, F. Ferreira da Silva, N. C. Jones, S. V. Hoffmann, D. Duflot, P. Limão-Vieira

Research output: Contribution to journalArticlepeer-review

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.

Original languageEnglish
Pages (from-to)42-48
Number of pages7
JournalChemical Physics Letters
Volume716
DOIs
Publication statusPublished - 1 Feb 2019

Keywords

  • Ab initio calculations
  • Calculated singlet and triplet states
  • Isoflurane
  • Rydberg states
  • Sevoflurane
  • Synchrotron radiation

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