Theoretical study on coordination of CS2 to third row metal atoms (M  CaMn, Cu, Zn)

✍ Scribed by Gwang-Hi Jeung

• Book ID: 103032000
• Publisher: Elsevier Science
• Year: 1995
• Tongue: English
• Weight: 417 KB
• Volume: 237
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(95)00274-8

✦ Synopsis

Bond strengths, stable geometries, and electron distributions in the lowest states of MCS 2 (M = Ca, Sc, Ti, V, Cr, Mn, Cu, Zn) are compared with the MCO 2 molecules by ab initio calculations. All the MCS 2 molecules except ZnCS 2 are shown to be stable with respect to dissociation into M + CS 2. One metal valence electron is transferred to the CS 2 group, which is essentially localized at the carbon atom. M-CS 2 bond strengths are found to decrease in the order TiCS 2 > VCS 2 > MnCS 2 > ScCS z = CaCS 2 _> CrCS 2 = CuES 2 > ZnCS 2. The stability order for geometry is ~qscs3 > .