Theoretical Studies of the Additions of Germylenes to Ethylene

• Published in: Journal of the American Chemical Society Vol. 121; no. 49; pp. 11478 - 11485
• Main Authors: Su, Ming-Der, Chu, San-Yan
• Format: Journal Article
• Language: English
• Published: American Chemical Society 15.12.1999

Complete geometry optimizations were carried out using density functional theory to study the potential energy surfaces for cycloaddition of germylene to the CC double bond of ethylene. The GeX2 + C2H4 (GeX2 = GeH2, Ge(CH3)2, Ge(NH2)2, Ge(OH)2, GeF2, GeCl2, GeBr2, and GeCH2) systems are the subjec...