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N,N-双(2-羟基苄基)烷基胺的超分子结构:无客体主体和有客体主体的柔性分子组装框架

Supramolecular structure of N,N-Bis(2-hydroxybenzyl)alkylamine: flexible molecular assembly framework for host without guest and host with guest.

作者信息

Phongtamrug Suttinun, Tashiro Kohji, Miyata Mikiji, Chirachanchai Suwabun

机构信息

The Petroleum and Petrochemical College, Chulalongkorn University, Phyathai Road, Pathumwan, Bangkok 10330, Thailand.

出版信息

J Phys Chem B. 2006 Oct 26;110(42):21365-70. doi: 10.1021/jp061778v.

DOI:10.1021/jp061778v
PMID:17048966
Abstract

N,N-Bis(2-hydroxybenzyl)alkylamine derivatives form a cage-like assembly consisting of two molecules via inter- and intramolecular hydrogen bonds. The derivatives exhibit themselves as host to accept copper-ion guests under the double-oxygen-bridged dimeric system. Quantum chemical calculation suggested that the host-guest interaction is based on a charge-transfer coordination. Comparison of the crystal structures before and after complexation clarifies a rare example of a host-guest compound where the hosts maintain their cage framework through the change of hydrogen bonds to coordination bonds.

摘要

N,N-双(2-羟基苄基)烷基胺衍生物通过分子间和分子内氢键形成由两个分子组成的笼状组装体。在双氧桥联二聚体系下,这些衍生物表现出作为主体接受铜离子客体的性质。量子化学计算表明,主客体相互作用基于电荷转移配位。络合前后晶体结构的比较阐明了一个罕见的主客体化合物例子,其中主体通过氢键向配位键的转变维持其笼状骨架。

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