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Crystallographic and chiroptical studies on tetraarylferrocenes for use as chiral rotary modules for molecular machines

机译:四芳基二茂铁用作分子机器的手性旋转组件的晶体学和手性研究

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摘要

A crystal structure of the racemic form of chiral molecular scissors I with a trans configuration at the azobenzene unit (rac-trans-1), in which the scissors adopt a closed geometry with two blade phenyl groups that overlap each other, was successfully determined. X-ray crystallographic determination of the structure of (1S, 1'S)-10, which is a derivative of the key precursor of trans-1, was also successful. On the basis of the crystal structure of (1S,1'S)-10, the absolute configuration of I and related molecular machines, such as molecular pedal 2, and self-locking rotor 3, which all contain a chiral tetrasubstituted ferrocene module, were determined. A correlation between the absolute configuration and the circular dichroism properties of these molecular machines and their synthetic precursors was also determined.
机译:已成功地确定了在偶氮苯单元上具有反式构型的手性分子剪刀I的外消旋形式的晶体结构(rac-trans-1),其中剪刀采用了闭合的几何构型,两个刀片苯基相互重叠。 X射线晶体学测定(1S,1'S)-10的结构也很成功,该结构是trans-1的关键前体的衍生物。根据(1S,1'S)-10的晶体结构,确定了I和相关分子机器(例如均包含手性四取代二茂铁模块的分子踏板2和自锁转子3)的绝对构型。还确定了这些分子机器及其合成前体的绝对构型和圆二色性之间的相关性。

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