## Abstract A reaction scheme for the rearrangement of trimethylsilyl(methyl)silylene (Me~3~SiβSΜiβMe) discovered in a pioneering work of organosilicon chemistry (Wulff et al., J Am Chem Soc 1978, 100, 6236) was studied by the MP2 and DFT methods. We report a thermal reaction scheme for the rearran
β¦ LIBER β¦
Ab Initio and DFT Studies of the Thermal Rearrangement of Trimethylsilylsilylene
β Scribed by Boo, Bong Hyun; Im, Suk; Park, Sungwoo; Lee, Sungyul
- Book ID
- 126278836
- Publisher
- American Chemical Society
- Year
- 2008
- Tongue
- English
- Weight
- 209 KB
- Volume
- 27
- Category
- Article
- ISSN
- 0276-7333
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## Abstract Hydrolyses of phosphorus halides, (RO)~2~POX where R = H or Me and X = F or Cl, in the gas phase and in the reaction field have been investigated theoretically with __ab initio__ and the density functional theory (DFT). The free energy of activation in the reaction field was also estima