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Anions formed by the perhalobenzene series C$$_6$$Cl$$_{n}$$F$$_{6-n}$$ ($n=0-6$) are studied computationally. All members of the series form both stable valence and stable non-valence anions. At the geometry of the neutral parents, only non-valence anions are bound, and the respective vertical electron affinities show values in the $20$ to $60$meV range. Valence anions show distorted non-planar structures, and one can distinguish two types of conformers. A-type conformers show puckered-ring structures and excess electrons delocalized over several C-Cl bonds [in case of C$$_6$$F$$_6^-$$, C-F bonds], while B-type conformers possess excess electrons essentially localized in a single C-Cl bond, which is accordingly strongly stretched and bent out-of-plane. For a specific anion, all conformers are close in energy (relative energies of less than $10$kJ/mol) and are connected by low-lying transition states. Accordingly, A-type and B-type conformers possess similar adiabatic electron affinities, however, their vertical detachment energies exhibit drastically different values, which should ease conformer distinction in photoelectron spectroscopy.
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A xenon collisional-radiative model applicable to electric propulsion devices: II. Kinetics of the 6 s , 6 p , and 5 d states of atoms and ions in Hall thrusters
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We present bolometric luminosities, black hole masses, and Eddington ratios for 42 luminous quasars at z ≳ 6 using high signal-to-noise ratio VLT/X-shooter spectra, acquired as part of the enlarged ESO Large Programme XQR-30 . In particular, we derived the bolometric luminosities from the rest-frame 3000 Å luminosities using a bolometric correction from the literature, as well as the black hole masses by modeling the spectral regions around the C IV 1549 Å and the Mg II 2798 Å emission lines, with scaling relations calibrated in the Local Universe. We find that the black hole masses derived from both emission lines are in the same range and the scatter of the measurements agrees with expectations from the scaling relations. The Mg II -derived masses are between ∼(0.8−12) ×10 9 M ⊙ and the derived Eddington ratios are within ∼0.13−1.73, with a mean (median) of 0.84(0.72). By comparing the total sample of quasars at z > 5.8, from this work and from the literature, to a bolometric luminosity distribution-matched sample at z ∼ 1.5, we find that quasars at high redshift host slightly less massive black holes, which accrete slightly more rapidly than those at lower z , with a difference in the mean Eddington ratios of the two samples of ∼0.27. These findings are in agreement with the results of recent works in the literature.more » « less
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Accepted Manuscript1.0
- Journal Article:
- https://doi.org/10.1088/1361-6595/ab30b7
