Electrostatically-gated molecular rotors
Electrostatically-gated molecular rotors
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静电门控分子转子
DOI：
10.1039/d2cc00512c
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发表时间：
2022
影响因子：
4.9
通讯作者：
Shimizu, Ken D.
中科院分区：
文献类型：
--
作者：
Lin, Binzhou;Karki, Ishwor;Pellechia, Perry J.;Shimizu, Ken D.
利用带静电吡啶栅极的n -苯基琥珀酰亚胺分子转子，证明了利用静电相互作用控制分子尺度运动的能力。吡啶栅极的质子化在键旋转过程的过渡态形成稳定的静电相互作用，降低了旋转势垒并将旋转速率提高了两个数量级。分子模型和能量分解分析证实了吸引静电相互作用在降低键旋转过渡态中的主导作用。
The ability to control molecular-scale motion using electrostatic interactions was demonstrated using an N-phenylsuccinimide molecular rotor with an electrostatic pyridyl-gate. Protonation of the pyridal-gate forms stabilizing electrostatic interactions in the transition state of the bond rotation process that lowers the rotational barrier and increases the rate of rotation by two orders of magnitude. Molecular modeling and energy decomposition analysis confirm the dominant role of attractive electrostatic interactions in lowering the bond rotation transition state.