Theoretical investigation of the mechanism, chemo- and stereospecifity in the epoxidation reaction of limonene with meta-chloroperoxybenzoic acid (m-CPBA)
| Dublin Core | PKP Metadata Items | Metadata for this Document | |
| 1. | Title | Title of document | Theoretical investigation of the mechanism, chemo- and stereospecifity in the epoxidation reaction of limonene with meta-chloroperoxybenzoic acid (m-CPBA) |
| 2. | Creator | Author's name, affiliation, country | Abdellah ZEROUAL; Laboratory of Physical Chemistry, Department of Chemistry, Faculty of Science Chouaib Doukkali University, EL Jadida, Morocco.; Morocco |
| 3. | Subject | Discipline(s) | |
| 3. | Subject | Keyword(s) | B3LYP/6-311(d,p); Limonene; DFT; Epoxidation; meta-Chloroperoxybenzoic Acid. |
| 4. | Description | Abstract | The epoxidation of limonene 1 with m-CPBA has been examined within the MEDT at the B3LYP/6-311(d,p) computational level. The chemo- and stereoisomeric reaction paths involving the two C=C double bonds of limonene have been scrutinized. DFT computations account for the high chemospecifity involving the C1=C2 double bond and the stereospecifity, in complete conformity with the experimental results. An ELF analysis of the epoxidation shows the formation of the epoxide ring taking place of the two new C-O single bonds is somewhat asynchronous. |
| 5. | Publisher | Organizing agency, location | |
| 6. | Contributor | Sponsor(s) | |
| 7. | Date | (YYYY-MM-DD) | 14-02-2021 |
| 8. | Type | Status & genre | Peer-reviewed Article |
| 8. | Type | Type | |
| 9. | Format | File format | |
| 10. | Identifier | Uniform Resource Identifier | https://revues.imist.ma/index.php/morjchem/article/view/20462 |
| 10. | Identifier | Digital Object Identifier (DOI) | https://doi.org/10.48317/IMIST.PRSM/morjchem-v9i1.20462 |
| 11. | Source | Title; vol., no. (year) | Moroccan Journal of Chemistry; Vol 9, No 1 (2021) |
| 12. | Language | English=en | en |
| 13. | Relation | Supp. Files | |
| 14. | Coverage | Geo-spatial location, chronological period, research sample (gender, age, etc.) | |
| 15. | Rights | Copyright and permissions |
Copyright (c) 2020 Moroccan Journal of Chemistry |