Chemical bonding in ScCS

✍ Scribed by G.-H. Jeung

• Publisher: Elsevier Science
• Year: 1991
• Tongue: English
• Weight: 519 KB
• Volume: 176
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(91)90159-7

✦ Synopsis

The electronic structures of the collinear ScCS molecule m the lowest 42-, %, ?I and '@ states are studied using the multireference singles-and-doubles configuration interaction. The ground state, "X-, is calculated to be quite stable relative to dissociation into SC 3d'4sL(*D) tCS( 'Z'). The bonding between SC and CS is remarkably stronger than the bonding between SC and CO, due to a better sharing of the electrons between SC and CS. A collinear section of the potential energy surfaces and the electron distributions are analysed in detail.