Design and characterization of two strong fullerene receptors based on ball-socket interactions

被引：25
作者：
Denis, Pablo A. [1 ]
机构：
[1] UDELAR, Fac Quim, DETEMA, Montevideo 11800, Uruguay
来源：
CHEMICAL PHYSICS LETTERS | 2014年 / 591卷
关键词：
NONCOVALENT INTERACTIONS; 2+2+2+2 CYCLOADDITIONS; DENSITY; C-60; CORANNULENE; SYSTEMS; BUCKYBOWLS; CURVATURE; COMPLEXES; SUMANENE;
D O I：
10.1016/j.cplett.2013.11.056
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Herein, we studied the interaction between the fullerenes C-60 and C-70 with pentaindenocorannulene (P), chrysaorole (C) and two new buckycatchers. The P and C bowls interact with the fullerenes with an interaction-energy (IE) that is twice the value determined for corannulene. The new receptors designed include a cyclooctatetraene core which has two P or C pincers attached. Notwithstanding the fact that the proposed hosts prefer stacked conformations at equilibrium, the IE determined are extremely large and close to the ones computed for the dimeric metalloporphyrins. It is our hope that this work stimulates the synthesis of these receptors. (C) 2013 Elsevier B. V. All rights reserved.
引用
收藏
页码：323 / 327
页数：5
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