Measurement of absolute dipole oscillator strengths for pyridine: photoabsorption and the molecular and dissociative photoionization in the valence shell (4–200 eV)

Tixier, S.; Cooper, Glyn; Feng, Renfei; Brion, C.E.

doi:10.1016/s0368-2048(02)00019-1

Cited by 14 publications

(22 citation statements)

References 36 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…As it was shown through computational methods [18], the features observed in the PES above the binding energy of 25 eV are strongly influenced by multielectron processes (MEP) and thus we ascribed the band centered around 31.2 eV to be due to such interactions. A slight increase in the photoionization efficiency at this energy was also observed by others [34]. In the TPES there are other distinguished features in the range of 29-31 eV that were attributed to the pressure fluctuations during this measurement.…”

Section: Resultsmentioning

confidence: 48%

Photoelectron and threshold photoelectron valence spectra of pyridine

et al. 2016

View full text Add to dashboard Cite

Abstract.The pyridine molecule has been examined by the means of photoelectron and threshold photoelectron spectroscopies. Ionization energies were determined for both outer and inner valence orbitals and new adiabatic values were also resolved. Vibronic structure associated with several states was assigned mainly to be due to C-C stretches and ring bends. Additionally a Rydberg state converging to 7b2 state was ascribed. The data shown here are in a good agreement with previous results and brings some new insights into the electronic structure of this biologically and astrochemically relevant and important molecule.

show abstract

Section: Resultsmentioning

confidence: 48%

Photoelectron and threshold photoelectron valence spectra of pyridine

et al. 2016

View full text Add to dashboard Cite

show abstract

“…The experimental and theoretical (CMS-Xphotoionization partial cross-sections of pyridine associated with the 7a 1 (σ N LP ), 1a 2 (π), 2b 1 (π) and 5b 2 (σ) orbitals, corresponding to binding energy regions 1 -3 specified in Table I. The experimental partial cross-sections have been obtained by combining the measured branching ratios with the absolute photoabsorption cross-section and the photoionization quantum efficiency determined by Tixier et al 93 See text for details. Binding energy (eV) …”

Section: Supplementary Materialsmentioning

confidence: 99%

“…First, the absolute total photoionization cross-section was obtained as the product of the absolute photoabsorption cross-section 93 and the photoionization quantum efficiency. 93 Secondly, the absolute photoionization partial cross-section for a particular region (Table I) was then determined by multiplying the appropriate branching ratio with the absolute total photoionization cross-section.…”

Section: 92mentioning

confidence: 99%

Ionization of pyridine: Interplay of orbital relaxation and electron correlation

Trofimov

Holland

Powis

et al. 2017

The Journal of Chemical Physics

View full text Add to dashboard Cite

The valence shell ionization spectrum of pyridine was studied using the third-order algebraicdiagrammatic construction [ADC(3)] approximation scheme for the one-particle Green's function and the outer-valence Green's function (OVGF) method. The results were used to interpret angle resolved photoelectron spectra recorded with synchrotron radiation in the photon energy range of 17 -120 eV. The lowest four states of the pyridine radical cation, and CCSD (coupled-cluster singles and doubles) methods, and the harmonic vibrational frequencies were obtained at the MP2 level of theory for the lowest three cation states. The results were used to estimate the adiabatic 0-0 ionization energies, which were then compared to the available experimental and theoretical data. Photoelectron anisotropy parameters and photoionization partial cross-sections, derived from the experimental spectra, were compared to predictions obtained with the continuum multiple scattering approach.3

show abstract

“…In this work, all the photoabsorption data used for fragment-additive models was taken exclusively from the Brion database 38 which contains data for 64 species. The data relevant to this work are unpublished data for propanone and ethanal, and published data for benzene, 12 pyridine, 45 nitrogen, 46 ethyne, 47 methyl fluoride, 48 nitrogen dioxide, 49 tetrafluoromethane, 50 and methane and ethane. 51…”

Section: A Experimental Datamentioning

confidence: 99%

Dipole oscillator strength distributions, sum rules, mean excitation energies, and isotropic van der Waals coefficients for benzene, pyridazine, pyrimidine, pyrazine, s-triazine, toluene, hexafluorobenzene, and nitrobenzene

Thakkar

2020

Preprint

View full text Add to dashboard Cite

Experimental, theoretical, and additive-model photoabsorption cross-sections combined with constraints provided by the Kuhn-Reiche-Thomas sum rule and the high-energy behavior of the dipole-oscillator-strength density are used to construct dipole oscillator strength distributions for benzene, pyridazine (1,2-diazine), pyrimidine (1,3-diazine), pyrazine (1,4-diazine), s-triazine (1,3,5-triazine), toluene (methylbenzene), hexafluorobenzene, and nitrobenzene. The distributions are used to predict dipole sum rules S(k) for −6 ≤ k ≤ 2, mean excitation energies I(k) for −2 ≤ k ≤ 2, and isotropic van der Waals C 6 coefficients. A popular combination rule for estimating C 6 coefficients for unlike interactions from the C 6 coefficients of the like interactions is found to be accurate to better than 1% for 606 of 628 cases (96.4%) in the test set.

show abstract

Measurement of absolute dipole oscillator strengths for pyridine: photoabsorption and the molecular and dissociative photoionization in the valence shell (4–200 eV)

Cited by 14 publications

References 36 publications

Photoelectron and threshold photoelectron valence spectra of pyridine

Photoelectron and threshold photoelectron valence spectra of pyridine

Ionization of pyridine: Interplay of orbital relaxation and electron correlation

Dipole oscillator strength distributions, sum rules, mean excitation energies, and isotropic van der Waals coefficients for benzene, pyridazine, pyrimidine, pyrazine, s-triazine, toluene, hexafluorobenzene, and nitrobenzene

Contact Info

Product

Resources

About