A new low-lying potential energy surface for SiH+2

✍ Scribed by Steve P. Mort; Neville A. Jennings; Gabriel G. Balint-Kurti

• Publisher: Elsevier Science
• Year: 1994
• Tongue: English
• Weight: 364 KB
• Volume: 222
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(94)00393-9

✦ Synopsis

High-resolution laser photofragmentation spectroscopic studies of SiHf have stimulated interest in the low-lying potential energy surfaces of the system. Diatomics-in-molecules, CA!%SCF and multireference CI studies have confirmed the existence of a previously unexplored low-lying potential energy surface which is likely to play an important role in the predissociation dynamics of the system. At slightly stretched Si-H separations the new surface is found to participate in a conical intersection with the ground electronic state of the molecular ion and itself Becomes, or correlates with, the ground state of the system in these geometries.