Mechanochemical formation of a 1:1 C60: tert-butylcalix[4]azulene supramolecular complex: solid-state NMR and DFT computational studies

被引：14

作者：

Georghiou, Paris E. ^{[1
]}

Schneider, Celine ^{[2
]}

Shamov, Grigory ^{[3
]}

Lash, Timothy D. ^{[4
]}

Rahman, Shofiur ^{[1
]}

Giddings, D. Sabrina ^{[1
,5
]}

机构：

[1] Mem Univ Newfoundland, Dept Chem, St John, NF A1C 5S7, Canada

[2] Mem Univ Newfoundland, C CART NMR Lab, St John, NF A1C 5S7, Canada

[3] Univ Manitoba, Westgrid ComputeCanada, Winnipeg, MB, Canada

[4] Illinois State Univ, Dept Chem, Normal, IL 61761 USA

[5] Natl Res Council Canada, Halifax, NS B3H 3Y8, Canada

来源：

SUPRAMOLECULAR CHEMISTRY | 2016年 / 28卷 / 5-6期

基金：

美国国家科学基金会;

关键词：

calixazulenes; Host-guest; supramolecular; DFT; C-60; Solid-state NMR; mechanochemistry; DENSITY-FUNCTIONAL THEORY; BINDING CONSTANTS; THERMOCHEMISTRY; CALIXARENES;

D O I：

10.1080/10610278.2015.1108416

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Solid-state NMR data are presented to clearly support the formation of a 1:1 supramolecular complex between C-60 and the tetra-tert-butylated analogue of calix[4]azulene by a simple mechanochemical hand-grinding of host and guest in a mortar and pestle. The experimental results are supported by a DFT study.

引用

页码：396 / 402

页数：7

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