的圆二色性和绝对立体化学

Enantiomer Pub Date : 2000-01-01

Nehira, Soutome, Harada

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引用次数: 0

摘要

制备了对映物[8]对环番烯-10-碳腈(1)及其相关化合物。用pi-电子SCF-CI-DV MO法对[CD(+)242.0]-1的CD谱进行理论计算，确定其绝对立体化学为R。理论测定结果与先前用x射线晶体学方法得出的结论相同。其他相关化合物显示类似的CD光谱，导致R绝对立体化学。

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Circular dichroism and absolute stereochemistry of

Enantiopure [8]paracyclophane-10-carbonitrile (1) and related compounds were prepared. The absolute stereochemistry of [CD(+)242.0]-1 was determined to be R by theoretical calculation of its CD spectrum using the pi-electron SCF-CI-DV MO method. The theoretical determination came to the same conclusion as the X-ray crystallographic method had previously given. Other related compounds show similar CD spectra leading to the R absolute stereochemistry.

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Enantiomer

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