The adiabatic ionization potentials of the alkali dimers Na2, NaK and K2

The low-lying adiabatic states of the K2+ alkali dimer

“…In the present paper, we are concerned with the K + 2 alkali-dimer molecular cation, which has been the subject of several theoretical and experimental studies. From the experimental perspective, according to the measurements of Stwalley and Wang [12] using a spectroscopic technique of the photoassociation of ultra cold atoms, the estimated ground state dissociation energy D e of the K + 2 ion was found to be 6670 cm −1 , while in an experimental work using a supersonic alkali-metal beam with a sequential two photon ionization technique, developed by Leutwyler et al [13], the dissociation energy was found to be equal to 6404 cm −1 . On the other hand, according to Broyer et al [14] who employed a technique of resonant two and three-photon ionization, the K + 2 ground state 1 2 Σ + g , has harmonic and anharmonic vibration constants, ω e =73.40 cm −1 and ω e χ e = 0.2 cm −1 , respectively.…”

High resolution photoelectron spectroscopy of metal clusters and high temperature species

“…Going down the periodic table are the well-known best free-electron metals, the alkali elements. Leutwyler et al 42 have measured the IPs of Na2 and K2 accurately. Interestingly, both these dimers have smaller IPs than the corresponding atoms.…”

Modelling interactions of cationic dimers in He droplets: microsolvation trends in HenK2+ clusters

“…S1 (ESI †) for selected R and y configurations. On the basis of these comparisons, and taking into account the MRCI+Q results obtained for the K 2 + spectroscopic constants (Table S1 in ESI †), [77][78][79][80][81][82] we decided to perform the final calculations at the MRCI level of theory using the small-core ECP10MDF pseudo-potentials with the large (11s,11p,5d,3f) basis set for the potassium atom and the aug-cc-pV6Z for the He atom.…”