Department of Chemistry, Wesleyan University, Hall-Atwater Laboratories, 52 Lawn Avenue, Middletown, Connecticut 06459-0180, USA.
J Phys Chem A. 2012 Aug 9;116(31):8169-75. doi: 10.1021/jp305812z. Epub 2012 Jul 31.
Rotational spectra for hexafluoroisobutene, and its (13)C isotopologues, have been recorded between 8 and 16 GHz using a chirped pulse, Fourier transform microwave spectrometer. Notably, all spectra observed are doubled with separations between the doublets being between 1 and 60 MHz. We propose that the bis-trifluoromethyl groups of the target molecule are staggered in the equilibrium configuration, and that a novel, out-of-phase rotation through a F-CCC-F planar configuration with low barrier (<100 cm(-1)), leads to the observed doubled rotational spectra.
已使用啁啾脉冲傅里叶变换微波光谱仪在 8 至 16GHz 范围内记录了六氟异丁烯及其 (13)C 同位素的旋转光谱。值得注意的是，观察到的所有光谱均为双重光谱，双峰之间的间隔在 1 至 60MHz 之间。我们提出，目标分子的双三氟甲基基团在平衡构象中是交错的，并且通过具有低势垒（<100cm^-1）的 F-CCC-F 平面构型的非同步旋转导致了观察到的双重旋转光谱。
