Diatomic potential well depths from analyses of high-resolution electron energy spectra for autoionizing collision complexes

Abstract

High-resolution energy spectra of electrons released in Penning ionization collisions of metastable rare gas atoms Rg*(ns) (Rg He, Ne, Ar, Kr, Xe) with several open-shell and closed-shell atoms are analyzed to determine the well depth of the potential energy curve which describes the respective autoionizing collision complex. We thereby elucidate trends in the chemical interaction of Rg* with closed-shell target atoms A(ns 2 ) and establish a basis for detailed comparison with the respective interactions involving open-shell, ground state alkali atoms A(ns). From electron energy spectra due to associative ionization (RgH formation) in Rg* + H(1s) collisions, we determine binding energies for the RgH 1 R ground state potential (Rg Ne, Ar, Kr, Xe) with uncertainties around 0.03 eV.

Collision-energy-resolved Penning ionization electron spectroscopy of OCS with He*(23S) metastable atoms

“…4b and negative CED-PICS was calculated for X state ðm ¼ À0:12Þ and C state ðm ¼ À0:22Þ. Although quantitative estimation of the well depth was found to be in good agreement with the ratio of 1.1-1.2 by Li model potential with respect to He à (2 3 S) for atomic targets (H, Li, Na, K, and Hg) in a recent study [22], anisotropic potential correction should be necessary for molecular targets [17,25]. The values of optimized parameters f and C i ð8r; 9r; 2p; 3p; 10r; 11r, and 4p) are 0.565 in Bohr radius and (3080, 2788, 4470, 4187, )0.84, )0.70, and )0.45) in meV, respectively.…”

“…Interaction potential energies between OCS and He à (2 3 S) for various directions were calculated on the basis of the wellknown resemblance between He à (2 3 S) and Li(2 2 S) [20][21][22]. We performed interaction potential energy calculations for access of a Li atom to OCS for various directions using the coupled-cluster theory (CCSD(T)).…”

Ab initio potential energy curves and transition dipole moments for the low-lying electronic states of NeH+

“…Hotop and co-workers [9,10] used high-resolution electron energy spectra to obtain the well depth of NeH + , and reported a value of 18350 ± 200 cm -1 for D e . This value is considered to be the best experimental value for the D e of the NeH + ion.…”

Theoretical ab initio study of the electronic states of KrH and KrH+: Quantum defect and complex coordinate calculations on the Rydberg states of KrH

“…The cations of rare gas hydrides, including KrH ϩ , have been studied by a variety of methods. The main objective of the studies on KrH ϩ has been the determination of the ground state potentials [25][26][27][28] and there is very little published information on the excited states, either experimental or theoretical. In the recent theoretical work on the charge transfer states 20 it is stated that the calculated excited states of KrH ϩ are unbound.…”