Elastic electron scattering by tetramethylmethane, tetramethylsilane, and tetramethylgermane

Randi, Pedro A. S.; Moreira, Giseli M.; Bettega, M. H. F.

doi:10.1103/physreva.102.022812

Cited by 4 publications

(15 citation statements)

References 35 publications

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“…The SCE DCS are plotted in figures 6-9 at different energies. The DCS in figures 6 and 7 are compared with the SMCP results of Randi et al [35]. A sharp dip is observed in the present DCS at around 40 • .…”

Section: Resultsmentioning

confidence: 56%

“…Thus the electronic excitation cross sections are not expected to contribute meaningfully to TCS in the present energy range. The TCS are therefore [35] (SEP); maroon dashed curve, Szmytkowski et al [36]; magenta dot-dashd curve, Sugohara et al [37] (IAM); violet triangles, Sugohara et al [37]. (b) TCS: red line curve, this work (sum of elastic and m-BEB TICS); green triangles, Szmytkowski et al [36].…”

Section: Resultsmentioning

confidence: 82%

“…The data exist only for selective processes and even those are for a limited energy range. Randi et al [35] and Szmytkowski et al [36] have independently studied electron scattering from TMS and other molecules. The theoretical study of Randi et al [35] includes determination of differential, integral and momentum transfer cross sections (MTCS) only up to 30 eV.…”

Section: Introductionmentioning

confidence: 99%

“…Randi et al [35] and Szmytkowski et al [36] have independently studied electron scattering from TMS and other molecules. The theoretical study of Randi et al [35] includes determination of differential, integral and momentum transfer cross sections (MTCS) only up to 30 eV. These studies are based on the Schwinger multichannel method implemented with pseudopotentials (SMCP), at static-exchange and static-exchange plus polarization (SEP) levels of approximation.…”

Section: Introductionmentioning

confidence: 99%

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Electron interactions with tetramethylsilane from the ionization threshold up to 5000 eV

Bharadvaja¹,

Bassi²,

Arora³

et al. 2021

Plasma Sources Sci. Technol.

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The electron impact cross sections are reported for tetramethylsilane from the ionization threshold up to 5000 eV. The partial ionization cross sections (PICS) of the fragments created by ionization are obtained using a modified form of the binary-encounter Bethe (BEB) model. These fragments have a mass to charge ratio (m/z) ranging from 15 to 88. In the modified-BEB approach, the binding energy of each molecular fragment is increased in such a way that the last occupied orbital reflects the appearance potential of a particular fragment. The total ionization cross sections obtained after summing the PICS are in very good agreement with the experimental results. Additionally, the cross sections such as differential, integral and momentum transfer are also reported. These are computed within the local potential approximation and invoking single centre expansion formalism. The total cross sections are obtained by incoherently summing the elastic and inelastic cross sections. The present scattering results are in excellent agreement with the experimental measurements. The modified-BEB model will be an immense help in understanding the effect of ionization on fragments.

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Section: Resultsmentioning

confidence: 56%

Section: Resultsmentioning

confidence: 82%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Electron interactions with tetramethylsilane from the ionization threshold up to 5000 eV

Bharadvaja¹,

Bassi²,

Arora³

et al. 2021

Plasma Sources Sci. Technol.

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“…[29] The calculated isotropic shielding tensor for TMS is equal to 31.94 ppm for the 1H nuclei. [44] The chemical shifts of all involved protons are listed in Table 2. Similarly, the calculated proton chemical shifts of H39 and H34 are arrived at 11.459 ppm and 10.478 ppm, respectively.…”

Section: The 1h Nmr Spectramentioning

confidence: 99%

Theoretical study on the mechanism for the excited-state double proton transfer process of an asymmetric Schiff base ligand

et al. 2022

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Excited-state double proton transfer (ESDPT) in the 1-[(2-hydroxy-3-methoxy-benzylidene)-hydrazonomethyl]-naphthalen-2-ol (HYDRAVH2) ligand was studied by the density functional theory and time-dependent density functional theory method. The analysis of frontier molecular orbitals, infrared spectra, and non-covalent interactions have cross-validated that the asymmetric structure has an influence on the proton transfer, which makes the proton transfer ability of the two hydrogen protons different. The potential energy surfaces in both S0 and S1 states were scanned with varying O–H bond lengths. The results of potential energy surface analysis adequately proved that the HYDRAVH2 can undergo the ESDPT process in the S1 state and the double proton transfer process is a stepwise proton transfer mechanism. Our work can pave the way towards the design and synthesis of new molecules.

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Joint experimental and theoretical study on electron scattering from titanium tetrachloride (TiCl4) molecule

Tańska

Randi

Stefanowska-Tur

et al. 2022

The Journal of Chemical Physics

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Absolute grand-total cross section for electron scattering from titanium tetrachloride, TiCl4, molecule was measured at electron-impact energies ranging from 0.3 to 300 eV, in the linear electron-transmission experiment. The elastic integral, differential, momentum transfer, and total ionization cross sections for TiCl4 molecule were also calculated for low and intermediate collisional energies at the level of various theories. The low-energy elastic integral, differential, and momentum transfer cross sections were calculated with the Schwinger multichannel method implemented with pseudopotentials, in the static-exchange and static-exchange plus polarization levels of approximation, for energies up to 30 eV. The integral cross section calculated for low-energy electron scattering with the R-matrix method within the static-exchange and static-exchange plus polarization approximations for energies up to 15 eV are also reported. By the inspection of the cross sections, the presence of resonances is discussed. In particular, the calculated integral cross sections and the measured total cross section display a minimum at around 1 eV, which is consistent with the presence of a Ramsauer–Townsend minimum and a sharp increase at low energies, which is consistent with the presence of a virtual state. Additionally, interactions in elastic and ionization channels for intermediate collision energies were investigated with the additivity rule and the binary-encounter-Bethe methods.

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Elastic electron scattering by tetramethylmethane, tetramethylsilane, and tetramethylgermane

Cited by 4 publications

References 35 publications

Electron interactions with tetramethylsilane from the ionization threshold up to 5000 eV

Electron interactions with tetramethylsilane from the ionization threshold up to 5000 eV

Theoretical study on the mechanism for the excited-state double proton transfer process of an asymmetric Schiff base ligand

Joint experimental and theoretical study on electron scattering from titanium tetrachloride (TiCl4) molecule

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