Efficiency of bulky protic solvent for SN2 reaction |
| |
| Authors: | Lee Sung-Sik Kim Ho-Sung Hwang Tae-Kyu Oh Young-Ho Park Sung-Woo Lee Sungyul Lee Byoung Se Chi Dae Yoon |
| |
| Institution: | College of Environmental Science and Applied Chemistry (BK 21), Kyunghee University, Kyungki 446-701, S. Korea. |
| |
| Abstract: | We calculate and compare the effects of aprotic vs protic solvent on the rate of SN2 reaction F- + C3H7OMs--> C3H7F + OMs-]. We find that aprotic solvent acetonitrile is more efficient than a small protic solvent such as methanol. Bulky protic solvent (tert-butyl alcohol) is predicted to be quite efficient, giving the rate constant that is similar to that in CH3CN. Our calculated relative activation barriers of the SN2 reaction in methanol, tert-butyl alcohol, and CH3CN are in good agreement with experimental observations. |
| |
| Keywords: | |
| 本文献已被 PubMed 等数据库收录！ |
|
