Theoretical Design of Silicon–Phosphorus Triple Bonds: A Density Functional Study

✍ Scribed by Chi-Hui Chen; Ming-Der Su

• Book ID: 102826029
• Publisher: John Wiley and Sons
• Year: 2008
• Tongue: English
• Weight: 994 KB
• Volume: 2008
• Category: Article
• ISSN: 1434-1948
• DOI: 10.1002/ejic.200700782

✦ Synopsis

Abstract

A density functional study on the effects of bulky aryl substituents on silicon–phosphorus triple bonds was carried out by using the B3LYP/3‐21G* method. These investigations suggest that both the kinetic and thermodynamic stabilities of substituted (L–Si≡P–L)^+1^ molecules are strongly dependent on the substituents (L). That is to say, the triply bonded (L–Si≡P–L)^+1^ molecule can be synthetically accessible by a proper choice of bulky aryl substituents. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)