Can silacetylene be observed? A theoreti
β
Mihn Tho Nguyen; Debasis Sengupta; Luc G. Vanquickenborne
π
Article
π
1995
π
Elsevier Science
π
English
β 430 KB
The potential energy surface for the 1,2-hydrogen shift converting silacetylene to silylidene, HSi-CH---\*Si=CH2, has been calculated by means of ab initio molecular orbital methods up to the QCISD(T) level with 6-311 ++G(3df, 3pd) basis set. The geometries and energetics obtained were utilized to c