Department of Chemistry, University of Virginia, McCormick Road, Charlottesville, VA 22904 (USA) http://faculty.virginia.edu/bpate-lab/
Angew Chem Int Ed Engl. 2014 Mar 17;53(12):3210-3. doi: 10.1002/anie.201309848. Epub 2014 Feb 12.
Cooperativity between weak hydrogen bonds can be revealed in molecular clusters isolated in the gas phase. Here we examine the structure, internal dynamics, and origin of the weak intermolecular forces between sevoflurane and a benzene molecule, using multi-isotopic broadband rotational spectra. This heterodimer is held together by a primary C-H⋅⋅⋅π hydrogen bond, assisted by multiple weak C-H⋅⋅⋅F interactions. The multiple nonbonding forces hinder the internal rotation of benzene around the isopropyl C-H bond in sevoflurane, producing detectable quantum tunneling effects in the rotational spectrum.
弱氢键之间的协同作用可以在气相中分离的分子簇中显现出来。在这里，我们使用多同位素宽带旋转光谱研究了七氟醚和苯分子之间的弱分子间相互作用的结构、内部动力学和起源。这种杂二聚体由一个主要的 C-H···π 氢键结合在一起，同时还有多个较弱的 C-H···F 相互作用辅助。这些多种非键相互作用力阻碍了苯在七氟醚中异丙基 C-H 键周围的内旋转，在旋转光谱中产生了可检测的量子隧道效应。
