Locking down the electronic structure of (monopyrrolo)tetrathiafulvalene in [2]rotaxanes.
Locking down the electronic structure of (monopyrrolo)tetrathiafulvalene in [2]rotaxanes.
复制标题
锁定[2]轮烷中(单吡咯并)四硫富瓦烯的电子结构。
DOI：
10.1021/ol060319
复制
发表时间：
2006
期刊：
影响因子：
5.2
通讯作者：
["A. Flood
中科院分区：
文献类型：
--
作者：
["A. Flood
[反应：见正文] 一种高度受限的[2]轮烷的氧化还原电位已被测定，并用于模拟基于四硫富瓦烯的双稳态[2]轮烷在其两种共构象异构状态下的最高占据分子轨道（HOMO）能量。由于共构象运动受到限制，所测定的氧化和还原电位为被一个四阳离子环双（百草枯 - 对亚苯基）环环绕的（单吡咯并）四硫富瓦烯单元的轨道能量和电子结构提供了深入了解。
[reaction: see text] The redox potentials of a highly constrained [2]rotaxane have been measured and used to model the energy of the HOMO of tetrathiafulvalene-based bistable [2]rotaxanes in their two co-conformationally isomeric states. Restrained from co-conformational movements, the measured oxidation and reduction potentials provide insights into the orbital energies and electronic structure of a (monopyrrolo)tetrathiafulvalene unit when encircled by a tetracationic cyclobis(paraquat-p-phenylene) ring.