Theoretical study of the photochemical isomerism of oximes
โ Scribed by Alain Dargelos; Daniel Liotard; Max Chaillet
- Publisher
- Springer
- Year
- 1975
- Tongue
- English
- Weight
- 163 KB
- Volume
- 38
- Category
- Article
- ISSN
- 1432-2234
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
Hartree-Fock and many-body perturbation theoretical calculations are used to determine the geometries and energies of NCCN (l), CNCN (2), and CNNC (3) as well as the transition state structures for interconversion among these three isomeric species. It is found that there is a reaction path with a r
The cis-trans photoisomerization pathway of the s-trans-1,3-pentadiene is investigated on the basis of excited state potential curves calculated using the CIPSI method in the excitonic (PCILO type) scheme. It is shown that both direct and sensitized excitation of either isomer are followed by equipr
## Abstract The reaction mechanism of photoisomerization of isoxazoles to oxazoles through azirine intermediates is investigated theoretically by means of __ab initio__ MO CI calculations. Azirine intermediates in __S__~1~ state [(__n__ โ\*) state of the carbonyl chromophore] cause the C๏ฃฟN bond rup
Photochemical rearrangements of oximes have received considerable attention in recent years. For example, Beckmann-type rearrangements, l-7 syn-anti isomerization,\*ng and conversion to oxazoles,lO and nitriles have been reported.