Quantitative photoabsorption and fluorescence spectroscopy of benzene, naphthalene, and some derivatives at 106–295 nm

Suto, Masako; Wang, Xiuyan; Jun, Shan; Lee, L.C.

doi:10.1016/0022-4073(92)90008-r

Cited by 72 publications

(62 citation statements)

References 48 publications

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“…21 Burrow et al 22 determined the vertical electron affinities and characterized the temporary anion states of a series of hydrocarbons including benzene, using electron transmission spectroscopy, while a review of all these resonance studies was provided by Allan. 23 Most experimental studies into excitation of the 1 B 1u and 1 E 1u electronic states have employed either photoabsorption or dipole (e,e ) techniques, [24][25][26][27][28] in order to determine their respective optical oscillator strengths (OOSs). Agreement between the various OOS measurements for the 1 E 1u state is typically very good to the ±5% level, however, for the 1 B 1u state there is a serious disagreement between the results of Feng et al 24 , and Suto et al 25 on the one hand, and those of Philis et al, 26 Pantos et al 27 and Hammond and Price, 28 on the other.…”

Section: Introductionmentioning

confidence: 99%

“…23 Most experimental studies into excitation of the 1 B 1u and 1 E 1u electronic states have employed either photoabsorption or dipole (e,e ) techniques, [24][25][26][27][28] in order to determine their respective optical oscillator strengths (OOSs). Agreement between the various OOS measurements for the 1 E 1u state is typically very good to the ±5% level, however, for the 1 B 1u state there is a serious disagreement between the results of Feng et al 24 , and Suto et al 25 on the one hand, and those of Philis et al, 26 Pantos et al 27 and Hammond and Price, 28 on the other. Finally, we note the total ionization cross section results from measurements due to Schram et al 29 From a theoretical perspective, elastic electron scattering from C 6 H 6 , at energies up to about 40 eV, using single-center expansion methods at the static exchange level, were reported by Gianturco and Lucchese.…”

Section: Introductionmentioning

confidence: 99%

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A study of electron scattering from benzene: Excitation of the 1B1u, 3E2g, and 1E1u electronic states

Kato

Hoshino

Tanaka

et al. 2011

The Journal of Chemical Physics

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We report results from measurements for differential and integral cross sections of the unresolved 1B1u and 3E2g electronic states and the 1E1u electronic state in benzene. The energy range of this work was 10–200 eV, while the angular range of the differential cross sections was ∼3°–130°. To the best of our knowledge there are no other corresponding theoretical or experimental data against which we can compare the present results. A generalized oscillator strength analysis was applied to our 100 and 200 eV differential cross section data, for both the 1B1u and 1E1u states, with optical oscillator strengths being derived in each case. The respective optical oscillator strengths were found to be consistent with many, but not all, of the earlier theoretical and experimental determinations. Finally, we present theoretical integral cross sections for both the 1B1u and 1E1u electronic states, as calculated within the BEf-scaling formalism, and compare them against relevant results from our measurements. From that comparison, an integral cross section for the optically forbidden 3E2g state is also derived.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

A study of electron scattering from benzene: Excitation of the 1B1u, 3E2g, and 1E1u electronic states

Kato

Hoshino

Tanaka

et al. 2011

The Journal of Chemical Physics

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“…Of course, matrix isolation spectroscopy provided important measurements, even up to the deep UV. Unfortunately, few were studied in the gas phase around the bump region, most spectra being published in 1992 using synchrotron light sources (Joblin et al 1992;Suto et al 1992). Since that time, nearly no new spectra were published and moreover no cold ones.…”

Section: From the Visible To The 217 Nm Bump Region Absorption Of Thementioning

confidence: 99%

“…The existence of fast relaxation channels in highly excited states of neutral PAHs remains to be explored, only one study seems to be available Suto et al (1992). The strength of the coupling in radicals or superhydrogenated PAHs is still unknown.…”

Section: Nonradiative Transitions In Pahs: Present Statusmentioning

confidence: 99%

“…However, concerning the electronic spectroscopy of PAHs, only few cations have been spectroscopically investigated in the gas phase (see Salama 2007 for a review), even fewer neutral radicals and no anions. Deep-UV spectra around the bump region at 217 nm are available only for few gas-phase neutral species (Joblin et al 1992;Suto et al 1992). This may seem somehow disappointing, but recent progresses on PAH science may be seen as a prelude for many advances in a relatively near future.…”

Section: Introductionmentioning

confidence: 99%

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Electronic Spectroscopy of PAHs

Pino

Carpentier

Féraud

et al. 2011

EAS Publications Series

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Abstract. Polycyclic aromatic hydrocarbons are a class of molecules of broad interest that has long been explored by various spectroscopic techniques. The electronic spectroscopy of these species is of particular interest since it provides a framework for the understanding of the electronic structure of large polyatomic molecules. Such studies also allow the systematic investigation of electronic relaxation mechanisms in large molecules. In this review, we focus on the gas-phase experimental work on such systems and present the latest progress. We also underline the challenges that remain to be tackled. A focus on the understanding of the electronic relaxation pathways at work in gas-phase PAHs will also be presented, as well as their possible manifestation in space.

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Development of a Novel Index for Analysis of Electronically Excited States

Damiri

2017

ChemPhysChem

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Concerning the major factors in the context of excited states analyses, namely charge centroids of the orbitals involved in the excitations, the distance between orbital centroids, and overlap integrals, a new metric-the Ω index-is proposed to assign the character and optical properties of electronically excited states. Using several molecules from different classes and also a well-studied standard database for time-dependent density functional theory (TD-DFT) studies as benchmark criteria, accountability of the developed index is numerically assessed for local, charge transfer, and Rydberg excitations. It is shown that the nature of excited states can be discriminated using the Ω index, where its superior performance for those situations in which the previous descriptors were not helpful is also unveiled. Relationships are also examined between the Ω index and optical properties of some molecules under study in the framework of the sum-over-state approach. It is observed that there are correlations between the proposed index and computed hyperpolarizabilities based on the sum-over-state scheme. These findings offer the possibility of estimating excited-state properties of large systems from simple descriptors without explicitly performing calculations of high-order response functions.

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Quantitative photoabsorption and fluorescence spectroscopy of benzene, naphthalene, and some derivatives at 106–295 nm

Cited by 72 publications

References 48 publications

A study of electron scattering from benzene: Excitation of the 1B1u, 3E2g, and 1E1u electronic states

A study of electron scattering from benzene: Excitation of the 1B1u, 3E2g, and 1E1u electronic states

Electronic Spectroscopy of PAHs

Development of a Novel Index for Analysis of Electronically Excited States

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