Electron Interactions With BCl3

Abstract

In this paper we review and assess the cross sections for collisions of low-energy electrons with boron trichloride (BCl 3 ). The only available experimental cross section data are for partial and total ionization and electron attachment, and the electron attachment cross sections are uncertain. Calculated values are available for the total elastic, differential elastic, and momentum transfer cross sections, and derived cross sections have been published for vibrational excitation and dissociation. Other than some rather uncertain data on electron attachment rate constants and some measurements of electron drift velocities in BCl 3 /Ar and BCl 3 /He mixtures, there are no measurements of the electron attachment, ionization, or transport coefficients for this gas. Analysis of the experimental data on the electron affinity, electron attachment, and electron scattering, enabled identification of negative ion states of BCl 3 at about Ϫ0.3, 1.0, 2.8, 5.2, 7.6, and 9.0 eV. Because the existing electron collision data are few and uncertain, relevant data are provided for photon impact on BCl 3 .

W3X: A Cost-Effective Post-CCSD(T) Composite Procedure

“…For this quantity, we also observe large deviations for W1X-1 (+15.9 kJ mol −1 ), W2.2 (+20.3), and W3.2lite (+17.4). Currently, the source of the discrepancy with experiment is unclear, but we note that the reported IE(BCl 3 ) values span a very wide range, 24 and the data given in a more recent photoelectron spectroscopy study 25 appear to imply a value (∼11.8 eV, 1133 kJ mol −1 ) that is more consistent with our theoretical IEs (1135.1 (W1X-1) and 1133.0 (W3X) kJ mol −1 ).…”

The efficient calculation of electron impact ionization cross sections with effective core potentials

“…Despite absolute experimental values being found for BCl 3 , for energies below 60 eV, these values do not cover the cross section maximum, and thus, the accuracy, magnitude, and shape of the curve are difficult to analyze. Christophorou and Olthoff 72 suggest that the values by Jiao et al 73 should be taken as a lower limit and that significant discrepancies exist among available data that need further investigation. However, the expected trends are still observed, where the ECP BEB curve produces a cross section larger than the AE BEB, and the αBEB curve is larger than the ECP BEB curve.…”

The formation of boron containing fragment ions from the ionization of BCl3

“…A recent review of electron interactions with BCl 3 by Christophorou and Olthoff [13] remarks on the lack of data concerning the electron-collision cross-sections with BCl 3 and suggests that further experimental measurements of the total electron-impact ionization cross-section for BCl 3 are needed. An early electron-impact study of the ionization of BCl 3 by Marriot and Craggs, using a Nier 60 • mass spectrometer, showed BCl 2 + to be the most abundant ion formed [9].…”