Validity and limitations of the annulene-within-an-annulene (AWA) model for macrocyclic π-systems

被引：16

作者：

Aihara, Jun-ichi ^{[1
]}

机构：

[1] Shizuoka Univ, Fac Sci, Dept Chem, Oya, Shizuoka 4228529, Japan

来源：

RSC ADVANCES | 2014年 / 4卷 / 14期

关键词：

POLYCYCLIC AROMATIC-HYDROCARBONS; ROTATING RING CURRENTS; RESONANCE ENERGIES; GRAPH-THEORY; PATTERNS; CORONENE; SUPERAROMATICITY; CONJUGATION; CHARACTER; KEKULENE;

D O I：

10.1039/c3ra45874a

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Recently some macrocyclic pi-systems have been proposed as possible candidates for the annulene-within- an-annulene (AWA) model. We found that bond resonance energies (BREs) for spokes that link outer and inner annulenic subsystems can be used as an excellent measure for deciding whether or not a given macrocycle conforms to the AWA picture. In general, macrocycles with small BRE(spoke) values, such as [10,5] coronene and [14,7] coronene, can be described well in terms of the AWA model.

引用

页码：7256 / 7265

页数：10

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