Atomic Energy Levels, as Derived from the Analyses of Optical Spectra

Near infrared spectroscopy of NiF

“…The A 2 D i state is made of two spin-orbit components separated by about 1400 cm À1 and this value is almost equal to 2n = 1206 cm À1 [4], where n is the spin-orbit coefficient of the ground [3d 9 ] 2 D electronic state of Ni + ion. This is expected if one assumes that the Ni + F À molecular orbitals and Ni + atomic orbitals are correlated in an ionic molecule [5].…”

“…At 11 722 cm À1 is probably located the [11.1] 2 P 3/2 (v 0 = 1) À X 2 P 3/2 (v 00 = 0) transition. The band of this group at the high wavenumber end is a weak one with a head at 11743 4. cm À1 .…”

Electron-helium scattering in Debye plasmas

“…The critical Debye length (D C α ) at which TABLE I. One-electron ionization energies (units of eV) of the n 2 helium states for 153-state CCC calculations. Energies compared with calculations of Kar and Ho [11] for Debye lengths D (units of a 0 ) and experimental data [37] for D = ∞. the state (α) moves into the continuum is at D C 1 1 S = 0.6a 0 ; for the 1 1 S state, refer to Fig.…”

Quantum-Chemical Ab Initio Calculations on Borabenzene (C5H5B) and its Adducts with Ne, Ar, Kr, and N2. Could Free Borabenzene be Observed in Rare Gas Matrices?

“…[26] Employing the relationship between the de Broglie wavelength of the valence electrons of an atom and the element's van der Waals radius as suggested by Morrison [27] and Bondi, [26] a correlation between the radii for C, N, O, and F calculated using this relationship and the corresponding experimental data, [26] and a value of 8.296 eV for the first ionization potential of boron [28] resulted in R vdW (B) ¼ 1.872 Å for B. The highest occupied molecular Kohn-Sham orbitals of all three adducts are located at the six-membered ring of the acceptor with essentially vanishing coefficients at the rare gas atoms.…”