A valence electron rule for the regular octahedrons of M-6 clusters

作者：Takeuchi Kunihiro; Shirahama Yuji; Inagaki Satoshi^*

来源：Inorganica Chimica Acta, 2008, 361(1): 355-358.

DOI：10.1016/j.ica.2007.05.054

• regular octahedral clusters
• valence electron rule
• high-row representative elements

A valence electron rule is proposed for the stability of the regular octahedrons of the M-6 clusters of high-row representative elements in the singlet states. The 6N + 14 (N = 0-2) valence electrons stabilize the O-h geometry. The 6N + 14 valence electron rule is confirmed by the unrestricted density functional theory calculations at the UB3LYP/6-31+G(d) levels.

• 出版日期2008-1-1