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Theoretical study of solvent effects on the structures and isomerization of silylenoid H2SiLiF

✍ Scribed by Ju Xie; Dacheng Feng; Shengyu Feng; Yunqiao Ding

Publisher
Springer
Year
2006
Tongue
English
Weight
291 KB
Volume
18
Category
Article
ISSN
1040-0400

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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 Substitution Re
Theoretical Study on the Substitution Reactions of Silylenoid H2SiLiF with CH4, NH3, H2O, HF, SiH4, PH3, H2S, and HCl
✍ Ju Xie; Dacheng Feng; Shengyu Feng πŸ“‚ Article πŸ“… 2007 πŸ› John Wiley and Sons βš– 11 KB πŸ‘ 2 views

## Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.

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