Spin–orbit induced predissociation of the B2Σg− and 22Σg+ states of the O2+ ion

✍ Scribed by A. Mitrushenkov; P. Palmieri; G. Chambaud; P. Rosmus

• Book ID: 104108531
• Publisher: Elsevier Science
• Year: 2003
• Tongue: English
• Weight: 181 KB
• Volume: 378
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/s0009-2614(03)01319-8

✦ Synopsis

Highly correlated MRCI electronic wavefunctions are used to calculate the potential energy functions, the nonadiabatic and the spin-orbit coupling elements for the B 2 R À g and neighboring states of the O þ 2 ion. The results are employed in calculations of the spectroscopic constants and the spin-orbit induced predissociation lifetimes using the complex scaling method. The dominant predissociation path correlating with the O + O þ atoms in their ground states is found to proceed via the f 4 P g state. The path leading to the O( 1 D) + O þ ( 4 S) asymptote involves couplings with the 2 2 P g and 2 4 P g states. The weak vibrational progression embedded in the progression of the B-state is assigned to the 2 2 R þ g state. The predissociative lifetimes are calculated to be distinctly longer than the apparent experimental lifetimes reported previously.