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Guest-induced supramolecular chirality transfer in [2]pseudorotaxanes: experimental and computational study.
Organic & Biomolecular Chemistry ( IF 2.9 ) Pub Date : 2020-09-15 , DOI: 10.1039/d0ob01347a Hui-Juan Wang 1 , Hao-Yang Zhang , Heng-Yi Zhang , Guoxing Liu , Xianyin Dai , Huang Wu , Yu Liu
Organic & Biomolecular Chemistry ( IF 2.9 ) Pub Date : 2020-09-15 , DOI: 10.1039/d0ob01347a Hui-Juan Wang 1 , Hao-Yang Zhang , Heng-Yi Zhang , Guoxing Liu , Xianyin Dai , Huang Wu , Yu Liu
Affiliation
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To reveal the factors governing the chirality transfer from a chiral unimolecule to a supramolecular assembly, we constructed a series of [2]pseudorotaxanes through the intermolecular noncovalent interaction of a pair of chiral binaphthalene crown ethers with achiral secondary ammonium salts with different chromophores, and found that the binaphthalene groups can induce new circular dichroism (CD) signals only in the [2]pseudorotaxane structures between the host crown ethers and the guest molecule with the anthryl group. Density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations show that the generation of the new CD signal is mainly due to the intermolecular chiral induction between the anthryl group in the guest and the naphthalene groups in the host.
中文翻译：
[2] 伪轮烷中客体诱导的超分子手性转移：实验和计算研究。
为了揭示控制从手性单分子到超分子组装体的手性转移的因素，我们通过一对手性联萘冠醚与具有不同发色团的非手性仲铵盐的分子间非共价相互作用构建了一系列 [2] 伪轮烷，并发现联萘基团只能在主体冠醚和具有蒽基的客体分子之间的[2]假轮烷结构中诱导新的圆二色性（CD）信号。密度泛函理论（DFT）和时间相关的密度泛函理论（TD-DFT）计算表明，新CD信号的产生主要是由于客体中的蒽基和主体中的萘基之间的分子间手性感应。 .
更新日期：2020-10-07
中文翻译：
[2] 伪轮烷中客体诱导的超分子手性转移：实验和计算研究。
为了揭示控制从手性单分子到超分子组装体的手性转移的因素，我们通过一对手性联萘冠醚与具有不同发色团的非手性仲铵盐的分子间非共价相互作用构建了一系列 [2] 伪轮烷，并发现联萘基团只能在主体冠醚和具有蒽基的客体分子之间的[2]假轮烷结构中诱导新的圆二色性（CD）信号。密度泛函理论（DFT）和时间相关的密度泛函理论（TD-DFT）计算表明，新CD信号的产生主要是由于客体中的蒽基和主体中的萘基之间的分子间手性感应。 .
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