A Theoretical Study on Chapman Rearrangement
β Scribed by Dr. Siamak Noorizadeh; Ameneh Ozhand
- Publisher
- John Wiley and Sons
- Year
- 2010
- Tongue
- English
- Weight
- 113 KB
- Volume
- 28
- Category
- Article
- ISSN
- 0256-7660
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
The transition states for fragmentation of dihydroxycarbene [C(OH)2] to H2 and C02 and for the rearrangement of this carbene to formic acid were located by ab initio calculations. The relative energies of the transition states were determined at several levels of theory and the basis set dependence
## Abstract The products of the rearrangement of ethylnitrene are ethylideneimine via a 1,2 hydrogen shift, __N__βmethyl methyleneimine via a 1,2 methyl shift, and the corresponding aziridine by cyclization. The three reactions have been studied by the semiempirical MNDO method. The charge transfer
## Abstract Using the density functional theory, we investigated the possible formation of fullereneβdizincocene hybrids, specifically C~60~\*βZnβZnβCp\*, C~60~\*βZnβZnβC~60~\*, C~70~\*βZnβZnβCp\*, and C~70~\*βZnβZnβC~70~\*, where C~60~\*, Cp\*, and C~70~\* represent C~60~(CH~3~)~5~, C~5~(CH~3~)~5~