Max Planck Institute for the Structure and Dynamics of Matter, Luruper Chaussee 149, 22761, Hamburg, Germany.
Deutsches Elektronen-Synchrotron DESY, Notkestrasse 85, 22607, Hamburg, Germany.
Angew Chem Int Ed Engl. 2017 Sep 4;56(37):11209-11212. doi: 10.1002/anie.201704221. Epub 2017 Jun 20.
We present the first high-resolution rotational spectrum of an artificial molecular rotary motor. By combining chirped-pulse Fourier transform microwave spectroscopy and supersonic expansions, we captured the vibronic ground-state conformation of a second-generation motor based on chiral, overcrowded alkenes. The rotational constants were accurately determined by fitting more than 200 rotational transitions in the 2-4 GHz frequency range. Evidence for dissociation products allowed for the unambiguous identification and characterization of the isolated motor components. Experiment and complementary quantum-chemical calculations provide accurate geometrical parameters for the C H molecular motor, the largest molecule investigated by high-resolution microwave spectroscopy to date.
我们展示了首个人工分子旋转马达的高分辨率旋转光谱。通过结合啁啾脉冲傅里叶变换微波光谱学和超声速膨胀技术，我们捕获到了基于手性、过度拥挤烯烃的第二代马达的振动态基态构象。通过拟合 2-4GHz 频率范围内的 200 多个转动跃迁，精确确定了转动常数。离解产物的证据允许对分离的马达组件进行明确的识别和特性分析。实验和补充的量子化学计算为 CH 分子马达提供了准确的几何参数，这是迄今为止用高分辨率微波光谱学研究的最大分子。
