Stable conformations of a magnesium ion-icosahedral borane complex

✍ Scribed by C.L. Beckel; I.A. Howard

• Publisher: Elsevier Science
• Year: 1986
• Tongue: English
• Weight: 476 KB
• Volume: 130
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(86)80465-1

✦ Synopsis

The stable positions of a magnesium ion relative to an icosahedral borane ion, B,2H,2, with the complex Mg+B,,H,2 neutral are investigated. Configurations in which the Mg is inside the boron cage have been included. Using a self-consistent molecularorbital calculational technique, it is established that the center of the boron cage is a stable energy minimum position, probably the global minimum, for the Mg ion.