The Influence of the Leaving Group X (X=F, Cl, Br, I, OH) on the Carbenoid Nature of the Carbenoids LiCH2X and XZnCH2X—A Theoretical Study
✍ Scribed by Holger Hermann; John C.W. Lohrenz; Andreas Kühn; Gernot Boche
- Publisher
- Elsevier Science
- Year
- 2000
- Tongue
- French
- Weight
- 131 KB
- Volume
- 56
- Category
- Article
- ISSN
- 0040-4020
No coin nor oath required. For personal study only.
✦ Synopsis
Dedicated to Professor Rolf Huisgen on the occasion of his 80th birthday
📜 SIMILAR VOLUMES
The potential energy surface of the singlet carbenoid H2CLiCI has been examined using ab initio methods including electron correlation. The 6-31G \* basis set was used for all geometry optimizations. Three equilibrium structures and two isomeric transition states were located, but only the lowest en
Gas phase identity ion pair S N 2 reactions at nitrogen LiX + NH 2 X ! XNH 2 + LiX (X ¼ F, Cl, Br and I) are investigated at the G2M(+) level. Two reaction mechanisms, inversion and retention, are proposed. Results indicate the inversion mechanism is favorable for all halogens. Including Li in the a