Valence and Ionic Lowest-Lying Electronic States of Isobutyl Formate Studied by High-Resolution Vacuum Ultraviolet Photoabsorption, Photoelectron Spectroscopy, and Ab Initio Calculations - Publikacja - MOST Wiedzy

Wyszukiwarka

Valence and Ionic Lowest-Lying Electronic States of Isobutyl Formate Studied by High-Resolution Vacuum Ultraviolet Photoabsorption, Photoelectron Spectroscopy, and Ab Initio Calculations

Abstrakt

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 CO 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.

Cytowania

  • 5

    CrossRef

  • 4

    Web of Science

  • 5

    Scopus

Informacje szczegółowe

Kategoria:
Publikacja w czasopiśmie
Typ:
artykuł w czasopiśmie wyróżnionym w JCR
Opublikowano w:
JOURNAL OF PHYSICAL CHEMISTRY A nr 119, strony 8647 - 8656,
ISSN: 1089-5639
Język:
angielski
Rok wydania:
2015
Opis bibliograficzny:
Śmiałek-Telega M., Łabuda M., Guthmuller J., Hoffmam S., Jones N., Macdonald M., Zuin L., Mason N., Limao-Vieira P.: Valence and Ionic Lowest-Lying Electronic States of Isobutyl Formate Studied by High-Resolution Vacuum Ultraviolet Photoabsorption, Photoelectron Spectroscopy, and Ab Initio Calculations// JOURNAL OF PHYSICAL CHEMISTRY A. -Vol. 119, nr. 32 (2015), s.8647-8656
DOI:
Cyfrowy identyfikator dokumentu elektronicznego (otwiera się w nowej karcie) 10.1021/acs.jpca.5b06053
Weryfikacja:
Politechnika Gdańska

wyświetlono 28 razy

Publikacje, które mogą cię zainteresować

Meta Tagi