Ab initio studies on the vacuum ultraviolet (VUV) excimer emission spectra of NeB+ and ArB+
- 1 March 1985
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 82 (5) , 2346-2351
- https://doi.org/10.1063/1.448330
Abstract
In the ab initio calculations the NeB+ and ArB+ diatomic ions are found to emit the excimer‐type bound‐free broad bands in the vacuum ultraviolet region. The emission band from the v’=0 of the lowest singlet excited state 1Π of NeB+ has a peak at 72 000 cm−1 (139 nm), while the spectrum from the v’=1 state exhibits two peaks at 73 500 and 70 200 cm−1, which reflects the node of the vibrational wave function of the initial state. The calculated lifetime of the v’=0 state is 1 ns. The corresponding band of the v’=0 of ArB+ peaks at 49 000 cm−1 (204 nm) and the lifetime is 6 ns.Keywords
This publication has 10 references indexed in Scilit:
- Electronic spectra of van der Waals molecules HgNe, HgAr, and HgKr in a supersonic jetThe Journal of Chemical Physics, 1984
- Excimer moleculesSoviet Physics Uspekhi, 1983
- Valence type vacant orbitals for configuration interaction calculationsChemical Physics Letters, 1981
- A systematic preparation of new contracted Gaussian‐type orbital sets. III. Second‐row atoms from Li through neJournal of Computational Chemistry, 1980
- Theoretical Studies of Molecular Electronic Transition LasersAnnual Review of Physical Chemistry, 1979
- The dispersed fluorescence spectrum of NaAr: Ground and excited state potential curvesThe Journal of Chemical Physics, 1979
- Potential energy curves of several excited states of the Ne2* excimer: Assignment of the transient absorption spectra of the excimerChemical Physics, 1979
- Potential interactions between boron ions and rare gasesThe Journal of Chemical Physics, 1978
- Nonadiabatic transitions in diatoms with one valence electron: Calculations of potential curves and differential cross sections for Li+ + NaChemical Physics Letters, 1975
- Spectral Distribution of Atomic Oscillator StrengthsReviews of Modern Physics, 1968