The highest resolution vacuum ultraviolet photoabsorption spectrum of isobutyl formate, C5H10O2, yet reported is presented over the energy range 4.5−10.7 eV (275.5−118.0 nm) revealing several new spectral features. Valence and Rydberg transitions and their associated vibronic series observed in the photoabsorption spectrum have been assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator strengths. Calculations have also been carried out to determine the ionization energies and fine structure of the lowest ionic state of isobutyl formate and are compared with a newly recorded photoelectron spectrum (from 9.0 to 27.0 eV). The value of the first ionization energy was determined to be 10.508 eV (adiabatic) and 10.837 eV (vertical). New vibrational structure is observed in the first photoelectron band, predominantly resulting from C−O and CO stretches of the molecule. The photoabsorption cross sections have been used to calculate the photolysis lifetime of isobutyl formate in the upper stratosphere (20−50 km), indicating that the hydroxyl radical processes will be the main loss process for isobutyl formate.
Authors
- dr hab. inż. Małgorzata Śmiałek-Telega link open in new tab ,
- dr hab. inż. Marta Łabuda link open in new tab ,
- prof. dr hab. Julien Guthmuller link open in new tab ,
- S.v. Hoffmam,
- Nykola C. Jones,
- M. MacDonald,
- L. Zuin,
- Nigel J. Mason,
- P. Limao-Vieira
Additional information
- DOI
- Digital Object Identifier link open in new tab 10.1021/acs.jpca.5b06053
- Category
- Publikacja w czasopiśmie
- Type
- artykuł w czasopiśmie wyróżnionym w JCR
- Language
- angielski
- Publication year
- 2015
