Vitamin E models - The effect of heteroatom substitution in 2-ethyl-2-methyl chroman and 2-ethyl-2-methyl-6-hydroxychroman
The molecular conformations of shortened molecular models of vitamin E (tocopherol and tocotrienol) and their sulfur and selenium congeners were studied computationally at the DFT level of theory [B3LYP/6-31G(d)]. The sequence of stabilization by the various heteroatoms was found to be the following...
Elmentve itt :
| Szerzők: | |
|---|---|
| Dokumentumtípus: | Cikk |
| Megjelent: |
2002
|
| Sorozat: | EUROPEAN PHYSICAL JOURNAL D
20 No. 3 |
| Tárgyszavak: | |
| doi: | 10.1140/epjd/e2002-00163-6 |
| mtmt: | 1132557 |
| Online Access: | http://publicatio.bibl.u-szeged.hu/28636 |
| Tartalmi kivonat: | The molecular conformations of shortened molecular models of vitamin E (tocopherol and tocotrienol) and their sulfur and selenium congeners were studied computationally at the DFT level of theory [B3LYP/6-31G(d)]. The sequence of stabilization by the various heteroatoms was found to be the following: O similar to Se > S. On the basis of the present structural results it seems that the seleno-congener of vitamin E is a distinct possibility. |
|---|---|
| Terjedelem/Fizikai jellemzők: | 609-618 |
| ISSN: | 1434-6060 |