The use of VCD technique based on ab mitio theoretical calculation has been hampered by the low sensitivity of vibrational absorption and by the computational demand. Recently, we found a new approach that requires only the observation of a strong VCD couplet originating from the interaction of two IR chromophores. The interaction yields a strong VCD couplet whose sign reflects the absolute configuration of the molecule. This new method named as VCD exciton chirality method using the bisignate VCD signals has a great advantage toward determination of absolute configuration of relatively small molecules without theoretical calculations. Furthermore, it can significantly enhance VCD signals, sometimes by a factor of ?100. In this review, the authors explain the recent application of this VCD exciton chirality method toward relatively complex small molecules, medium -sized molecules, and macromolecules.
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机译:基于理论计算的VCD技术由于振动吸收灵敏度低和计算需求而受到阻碍。最近,我们发现了一种新方法,只需要观察源自两个 IR 发色团相互作用的强 VCD 耦合。相互作用产生一个强VCD耦合,其符号反映了分子的绝对构型。这种名为VCD激子手性法的新方法使用双符号VCD信号,在无需理论计算的情况下确定相对小分子的绝对构型方面具有很大的优势。此外,它可以显著增强VCD信号,有时增强为100倍。本文介绍了VCD激子手性方法在相对复杂的小分子、中分子和大分子中的应用。
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