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Deoxygenation reactions of nitrous oxide assisted by oriented external electric field.
- Source :
-
International Journal of Quantum Chemistry . 5/5/2024, Vol. 124 Issue 9, p1-9. 9p. - Publication Year :
- 2024
-
Abstract
- Due largely to the high stability and the potential ozone‐depleting, the transformation of greenhouse gas nitrous oxide has gained much attentions. In present paper, a new insight into the deoxygenation of nitrous oxide with silane was reported by using oriented external electric field (OEEF) as a catalytic strategy. When the OEEF was employed, the reaction barrier of deoxygenation was marvelously decreased as it was oriented along the positive NO/OSi bond‐axis. Especially the field strength is 300 × 10−4 a.u., the differences are up to 22.4/18.3 kcal mol−1 as compared with that of nonfield. In addition, once the H atom in SiH4 was replaced by methyl, two reaction modes were obtained, in which the deoxygenation process was easier when the N2O captured the H atom attached to the Si atom, not attached to the C atom. Further, the solvent effects of deoxygenation reaction were also considered, but with a weak influence were obtained. [ABSTRACT FROM AUTHOR]
- Subjects :
- *ELECTRIC fields
*DEOXYGENATION
*NITROUS oxide
*GREENHOUSE gases
Subjects
Details
- Language :
- English
- ISSN :
- 00207608
- Volume :
- 124
- Issue :
- 9
- Database :
- Academic Search Index
- Journal :
- International Journal of Quantum Chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 177040971
- Full Text :
- https://doi.org/10.1002/qua.27384