Symmetry selection rules vs. vibronic coupling in resonant selective vibrational excitation of polyatomic molecules by electron impact

Arfa, M. Ben; Tronc, M.

doi:10.1016/0368-2048(90)80013-z

Cited by 19 publications

(6 citation statements)

References 18 publications

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“…3, 5, and 6 are in agreement with the symmetries and ordering deduced from k-shell excitation spectra 12 and from an analysis of the vibrational excitation of benzene. 10 The only states which have not been previously identified from experimental data are the very broad resonances ͑b 1u at 16.52 eV, e 1u at 21.96 eV, and a 1g at 25.73 eV͒ and the fairly narrow b 1u resonance at 24.48 eV which we predict leads to a small dip in the elastic scattering cross section as seen in Fig. 5.…”

Section: Discussionmentioning

confidence: 53%

“…Earlier studies on benzene include the experimental analysis of Schultz and co-workers, 3,6,9 the further experimental work on resonances done in later years [10][11][12][13][14][15][16] using electron scattering measurements of vibrational excitations, and scattering experiments involving electronic excitations. [17][18][19] Total integral cross sections over a broad range of energies were also measured recently.…”

Section: Introductionmentioning

confidence: 99%

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One-electron resonances and computed cross sections in electron scattering from the benzene molecule

Gianturco¹,

Lucchese

1998

The Journal of Chemical Physics

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One-electron resonances arising in electron scattering processes from a nonlinear polyatomic target, the benzene molecule, have been examined using various related methods. First, we have carried out calculations over a broad range of collision energies ͑from about 0.001 eV up to about 30 eV͒ by solving the scattering equations which use a parameter-free exact-static-exchangeplus-correlation-polarization potential to treat the electron-molecule interaction in all scattering symmetries. The entire range of features produced by the calculations was then related to specific structural properties of the scattering functions which give rise to the resonances. This analysis was done by using wave functions obtained with a local model potential approximation to the full potential used in the scattering calculations. These scattering functions were also related to the virtual orbitals obtained from a minimum basis set self-consistent field calculation. Additionally, for each resonant state found in this study we related the energy and width of the resonance to the partial wave components of the nearly adiabatic potential energy curve of the appropriate symmetry generated from the local model potential.

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Section: Discussionmentioning

confidence: 53%

Section: Introductionmentioning

confidence: 99%

One-electron resonances and computed cross sections in electron scattering from the benzene molecule

Gianturco¹,

Lucchese

1998

The Journal of Chemical Physics

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“…The 2 E 2u shape resonance at ∼1.1 eV has been the subject of a complete symmetry analysis (Gallup 1993), motivated by the data for vibrational excitation and angular distributions reported by Wong and Schulz (1975). An important (and general) insight that arises from this study, and from related work of Estrada et al (1986) and Ben Arfa and Tronc (1990), is that the 2 E 2u shape resonance is not a purely electronic phenomenon but is a vibronic resonance, that is, the temporary negative ion state involves Jahn-Teller vibronic coupling. The present work is performed at a resolution of a few meV and is able to distinguish between resonant structure in C 6 H 6 and C 6 D 6 , showing that the temporary negative ion state of C 6 D 6 forms at an energy ∼ 25 meV above that for C 6 H 6 .…”

Section: Introductionmentioning

confidence: 85%

Very low energy electron scattering from benzene and deuterated benzenes

Gulley

Lunt

Ziesel

et al. 1998

J. Phys. B: At. Mol. Opt. Phys.

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Measurements are reported of the absolute total cross sections for scattering of electrons between ∼ 35 meV and 2 eV by C 6 H 6 , C 6 H 5 D and C 6 D 6 . Data are also recorded for scattering in the presence of an axial magnetic field over an energy range which extends from between 5 and 10 meV to 2.5 eV. Absolute values of the total scattering cross sections agree well with those of other groups down to 500 meV below which no other data are available. No differences in scattering cross sections are found within experimental error between C 6 H 6 and its deuterated derivatives.The 2 E 2u shape resonance around 1.1 eV in C 6 D 6 is found at an energy ∼ 25 meV above that for C 6 H 6 . This shift in energy is ascribed to the different zero-point energies of C 6 H 6 and C 6 D 6 , with a contribution from Jahn-Teller distortion in the temporary negative ion. Data at low electron collision energies show that the scattering cross section rises rapidly below 100 meV to values of 170-180 Å2 at the lowest energies ¶. A combination of data obtained in the absence and presence of the axial magnetic field leads to the conclusion that C 6 H 6 attaches electrons at very low energy, in agreement with earlier high-pressure attachment studies. The lifetime of the (benzene) − moiety, however, appears to be of the order of microseconds-very much greater than had previously been suggested.

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“…In this sense, extensive works are available in the literature concerning e − -CH 3 CN collisions. Experimental investigations comprehend vibrational excitations [11][12][13], dissociative electron attachment [14,15], and the measurement of differential (DCSs), integral (ICSs), momentum-transfer cross sections (MTCSs) for the elastic scattering [16], and total ionization cross sections (TICSs) [17,18]. Moreover, Fujimoto et al [19], and Maiolli and Bettega [20] calculated theoretically elastic DCSs and ICSs using R-matrix (R-Mat) and the Schwinger multichannel implemented with pseudopotentials (SMCPP), respectively.…”

Section: Introductionmentioning

confidence: 99%

Collisions of low- to intermediate-energy electrons with acetonitrile

da Mata,

Fujimoto,

Homem

2023

J. Phys. B: At. Mol. Opt. Phys.

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A systematic investigation was carried out on the elastic scattering of low- to intermediate-energy electrons (E 0 = 0.1–1000 eV) by acetonitrile (CH3CN). We calculated differential (DCS), integral (ICS), momentum-transfer (MTCS), and total absorption cross sections (TACS) from 0.1 to 1000 eV energy range using an absorption-effects-implemented ePolyScat-E3 (ePSE3) suite of codes, which applies the Schwinger variational method combined with the Padé-approximants technique. Also, the screen-corrected independent atom (SCIAM) model was used to compute DCSs, ICSs, and MTCSs from 10 to 1000 eV impact energies. Present results are compared to other theoretical and experimental data when available. In general, our DCS and MTCS results show a good agreement with available data, however, the ICSs and the resonance features exhibit fair accordance. Our results show two shape-resonance structures: one at about 3.4 eV and a second at about 7 eV. They are labeled as π ∗ and σ ∗, and comprise the 2E and 2A1 scattering channels, respectively

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Symmetry selection rules vs. vibronic coupling in resonant selective vibrational excitation of polyatomic molecules by electron impact

Cited by 19 publications

References 18 publications

One-electron resonances and computed cross sections in electron scattering from the benzene molecule

One-electron resonances and computed cross sections in electron scattering from the benzene molecule

Very low energy electron scattering from benzene and deuterated benzenes

Collisions of low- to intermediate-energy electrons with acetonitrile

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