Ab initiopotential energy curves for the CO+ion and a study of the photoelectron spectra of CO
- 1 May 1979
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 37 (5) , 1593-1604
- https://doi.org/10.1080/00268977900101141
Abstract
The potential energy curves for the low-lying electronic states of CO+ are calculated by using the ab initio full valence configuration interaction method with minimal STOs. Calculated spectroscopic parameters are given for twenty five bound states, and the compared with the experimental values for four observed bound states. The band systems, observed in the 22 eV and 27 eV region of He II photoelectron spectra of CO, are analysed by using calculated potential energy curves and spectral intensities. New assignment for the fourth band system at 22 eV ∼ 23 eV is proposed.Keywords
This publication has 21 references indexed in Scilit:
- Origin of satellite structure in the valence x-ray photoelectron spectrum of CO: A theoretical studyPhysical Review A, 1977
- Photoion and photoelectron spectroscopy of CO and N2The Journal of Chemical Physics, 1975
- Photoelectron Spectrum and Rydberg Transitions of COPhysica Scripta, 1974
- The absorption spectrum of carbon monoxide near 550 ÅJournal of Physics B: Atomic and Molecular Physics, 1974
- The observation of “forbidden” transitions in He II photoelectron spectraJournal of Electron Spectroscopy and Related Phenomena, 1974
- Valence-Excited States of Carbon MonoxideThe Journal of Chemical Physics, 1970
- Etats de valence 2Π et 2Δ des molécules isoélectroniques N2+, CN et CO+Theoretical Chemistry Accounts, 1970
- Etude d'une nouvelle transition électronique attribuée à l'ion CO+Spectrochimica Acta Part A: Molecular Spectroscopy, 1969
- Quantum mechanical treatment of molecules. Part 2.—Calculation of the potential energy curves and molecular constants of the X2Σ+, A2Π and B2Σ+ionized states of COTransactions of the Faraday Society, 1967
- Potential-energy curves for O2+, N2+, and CO+Journal of Molecular Spectroscopy, 1966