Threshold photoelectron spectra of tetrahydrofuran over the energy range 9–29eV

Dampc, Marcin; Mielewska, Brygida; Siggel-King, M. R. F.; King, G C; Zubek, Mariusz

doi:10.1016/j.chemphys.2009.03.009

Cited by 20 publications

(26 citation statements)

References 22 publications

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“…The superexcited Rydberg states THF(n R ) would converge to the higher-lying C 4 H 8 O + ion state that constitutes the ion core. The recent threshold photoelectron spectra of THF [31] enable tentative identification of the ion core of these superexcited states to a strong, but so far unassigned, photoionization band with the vertical energy of 19.77 eV. This band occurs in the region of the 6a/4a and 4b/6a bands found in the theoretical calculations [32].…”

Section: Excited Hydrogen H(n) Atomsmentioning

confidence: 87%

Photofragmentation of tetrahydrofuran molecules in the vacuum-ultraviolet region via superexcited states studied by fluorescence spectroscopy

et al. 2011

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Photofragmentation of tetrahydrofuran molecules in the vacuum-ultraviolet region, producing excited atomic and molecular fragments, has been studied over the energy range 14-68 eV using photon-induced fluorescence spectroscopy. Excited hydrogen atoms H(n), n = 3-11, have been detected by observation of the H α to H ı lines of the Balmer series. The diatomic CH(A 2 ), CH(B 2 − ) and C 2 (d 3 g ) fragments, which are excited to low vibrational and high rotational levels are identified by their A 2 → X 2 r , B 2 − → X 2 r and d 3 g → a 3 u emission bands, respectively. Dissociation efficiency curves for CH(A 2 ) and H(n), n = 3-7, have been obtained in the photon energy ranges from their appearance thresholds up to 68 eV. The appearance energies for CH(A 2 ) and H(n), n = 3-7, have been determined and are compared with estimated fragmentation energy limits in order to discuss the possible fragmentation processes. In the present studies, superexcited states of tetrahydrofuran are found, which dissociate into the above excited atomic and molecular fragments.

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Section: Excited Hydrogen H(n) Atomsmentioning

confidence: 87%

Photofragmentation of tetrahydrofuran molecules in the vacuum-ultraviolet region via superexcited states studied by fluorescence spectroscopy

et al. 2011

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“…The experimental setup and the methodology are identical to those applied in our recent measurements of the threshold photoelectron spectrum of tetrahydrofuran [16]. Briefly, radiation from the McPherson 5-m normal incidence monochromator entered the interaction region, via a pyrex capillary tube with an internal diameter of 1 mm.…”

Section: Accepted Manuscriptmentioning

confidence: 99%

Threshold photoelectron studies of isoxazole over the energy range 9.9–30eV

et al. 2010

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The threshold photoelectron spectrum of the isoxazole molecule, C 3 H 3 NO has been measured over the photon energy range 9.9eV to 30eV with the use of synchrotron radiation. In the 9.9-10.8 eV range, corresponding to photoionization from the highest occupied molecular orbital 3a"(π 3 ), seven well resolved vibrational series have been observed and their modes are tentatively assigned. A strong adiabatic ionization, with an energy of 11.132 ± 0.003eV corresponding to the 2a'' (π 2 ) band, has also been observed. This is followed by a single vibrational series of the v C-H stretching mode.Photoelectron bands in the energy region 13-30 eV have also been identified, some for the first time.

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“…Similar molecules such as tetrahydrofuran have ionization energies much lower, and there is near perfect agreement between theory and experiment for that molecule. 9,10 There have also been a number of experimental and theoretical 11,12 studies on the fragmentation of deoxyribose molecules from energetic radiation. However, these have often relied on an ionization energy of 10.5 eV or higher for the parent molecule to explain the experimental results.…”

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A VUV Photoionization and Ab Initio Determination of the Ionization Energy of a Gas-Phase Sugar (Deoxyribose)

Ghosh

Golan

Takahashi

et al. 2011

J. Phys. Chem. Lett.

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Abstract-The ionization energy of gas-phase deoxyribose was determined using tunable vacuum ultraviolet synchrotron radiation coupled to an effusive thermal source. Adiabatic and vertical ionization energies of the ground and first four excited states of α-pyranose, the structure which dominates in the gas phase, were calculated using high-level electronic structure methods. An appearance energy of 9.1(±0.05) eV was recorded which agrees well with a theoretical value of 8.8 eV for the adiabatic ionization energy. A clear picture of the dissociative photoionization dynamics of deoxyribose emerges from the fragmentation pattern recorded using mass spectrometry and from ab initio molecular dynamics calculations. The experimental threshold (9.4 eV) for neutral water elimination upon ionization is captured well in the calculations, and qualitative insights are provided by molecular orbital analysis and molecular dynamics snapshots along the reaction coordinate.

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Threshold photoelectron spectra of tetrahydrofuran over the energy range 9–29eV

Cited by 20 publications

References 22 publications

Photofragmentation of tetrahydrofuran molecules in the vacuum-ultraviolet region via superexcited states studied by fluorescence spectroscopy

Photofragmentation of tetrahydrofuran molecules in the vacuum-ultraviolet region via superexcited states studied by fluorescence spectroscopy

Threshold photoelectron studies of isoxazole over the energy range 9.9–30eV

A VUV Photoionization and Ab Initio Determination of the Ionization Energy of a Gas-Phase Sugar (Deoxyribose)

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