可视化碗状分子的芳香性。

Visualising aromaticity of bowl-shaped molecules.

机构信息

Department of Chemistry, University of Sheffield, Sheffield S3 7HF, UK.

出版信息

Phys Chem Chem Phys. 2011 Dec 14;13(46):20637-43. doi: 10.1039/c1cp21931f. Epub 2011 Sep 15.

DOI:10.1039/c1cp21931f

PMID:21922089

Abstract

Superposition of slices (planar maps of induced current density calculated within the ipsocentric pseudo-π model of electronic response to a magnetic field) gives a simple route to visual diagnosis of ring-current aromaticity in bowl-shaped molecules. Results are presented for currents in the recently synthesized indenocorannulene precursors of [60]fullerene.

摘要

叠加切片（在磁场对电子响应的等心拟π模型内计算感应电流密度的平面图）为碗状分子中环电流芳香性的直观诊断提供了一种简单的方法。结果显示了最近合成的[60]富勒烯前体茚并corannulene中的电流。