电磁屏蔽
苯
磁场
芳香性
旋转(数学)
方向(向量空间)
戒指(化学)
屏蔽效应
Cone(正式语言)
化学
分子物理学
核磁共振
材料科学
化学物理
凝聚态物理
物理
分子
几何学
复合材料
有机化学
量子力学
计算机科学
算法
数学
作者
Anastasios G. Papadopoulos,Nickolas D. Charistos,Alvaro Muñoz‐Castro
出处
期刊:ChemPhysChem
[Wiley]
日期:2017-04-14
卷期号:18 (12): 1499-1502
被引量:34
标识
DOI:10.1002/cphc.201700279
摘要
Abstract The induced shielding cone is one of the most characteristic aspects of aromatic species. Herein, we explore its behavior under different orientations of the applied magnetic field by evaluating the overall and dissected π‐ and σ‐electron contributions. Our results shed light onto the orientation dependence behavior of the shielding cone, unraveling a characteristic pattern upon rotation of the aromatic ring. This pattern decreases the long range of the magnetic response, such that it resembles the behavior under constant molecular tumbling in solution.
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