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Theoretical studies on the structures and isomerization of silylenoid H2SiNaCl

✍ Scribed by Shengyu Feng; Dacheng Feng

Book ID
114141340
Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
98 KB
Volume
541
Category
Article
ISSN
0166-1280

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πŸ“œ SIMILAR VOLUMES

Theoretical studies on the structures an
Theoretical studies on the structures and reactivity of silylenoids. III. The structures and isomerization of silylenoid H2SiNaF
✍ Shengyu Feng; Dacheng Feng; Conghao Deng πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 420 KB

The potential energy surface of the singlet silylenoid H,SiNaF has been examined by ab initio calculations. The 3-21G and 6-3 1 G\* basis sets were used for full geometry optimizations. Four equilibrium structures and three isomeric transition states were located. The calculations have shown that th

Theoretical study on the isomeric struct
Theoretical study on the isomeric structures and the stability of silylenoid (Tsi)Cl2SiLi (Tsi = C(SiMe3)3)
✍ Ju Xie; Dacheng Feng; Shengyu Feng πŸ“‚ Article πŸ“… 2006 πŸ› John Wiley and Sons 🌐 English βš– 274 KB πŸ‘ 1 views

## Abstract The structures and isomerization of silylenoid (Tsi)Cl~2~SiLi (Tsi = C(SiMe~3~)~3~) were studied by density functional theory (DFT) at the B3LYP/6‐31G(d) level. Four equilibrium structures and three isomeric transition states were located. The three‐membered ring and __p__‐complex struc