Zhao Chen, Li Ping, Smith Mark D, Pellechia Perry J, Shimizu Ken D
Department of Chemistry and Biochemistry, University of South Carolina , Columbia, South Carolina 29208, United States.
Org Lett. 2014 Jul 3;16(13):3520-3. doi: 10.1021/ol5014729. Epub 2014 Jun 19.
A series of new torsional molecular balances was designed to study the cooperativity of CH-π interaction in the solid state and in solution. The measured interaction energies correlated better to the number of participating alkyl carbons than to the number of CH-π contacts. The methyl and ethyl groups displayed additive interaction energies. However, the branched isopropyl group displayed strong positive cooperativity with higher than predicted interaction energies.
设计了一系列新型扭转分子天平，用于研究固态和溶液中CH-π相互作用的协同性。测得的相互作用能与参与的烷基碳原子数的相关性比与CH-π接触数的相关性更好。甲基和乙基表现出加和性的相互作用能。然而，支链异丙基表现出很强的正协同性，其相互作用能高于预测值。
