HOT: Abnormally short Cl⋯Cl contacts inside organic crystals

This HOT Communication from Huaqiang Zeng and co-workers describes a 1D helical channel, composed of short foldamers with sticky ends that self-assemble in the solid state, that acts as a CH2Cl2 channel. What is interesting is that the Cl⋯Cl intermolecular distances within the channel are extraordinarily short. Zeng et al. perform computational modelling and calculate that this unusually short distance destabilises the host–guest complex by 14.94 kcal mol-1.

This will be free to access for the next 4 weeks so why not have a look at modelling details.

Locking high energy 1D chain of dichloromethane molecules containing abnormally short Cl⋯Cl contacts of 2.524 Å inside organic crystals
Feng Zhou, Haoliang Fu, Wei Qiang Ong, Ruijuan Ye, Weixing Yuan, Yu-Jing Lu, Yan-Ping Huo, Kun Zhang, Haibin Su and Huaqiang Zeng
DOI: 10.1039/C2OB25888A

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