Partition of π-electrons between faces of polyhedral carbon aggregates

被引：13

作者：

Balaban, Alexandru T. ^{[1
]}

Randic, Milan ^{[2
]}

Vukicevic, Damir ^{[3
]}

机构：

[1] Texas A&M Univ, Galveston, TX 77551 USA

[2] Natl Inst Chem, Ljubljana, Slovenia

[3] Univ Split, Dept Math, HR-21000 Split, Croatia

来源：

JOURNAL OF MATHEMATICAL CHEMISTRY | 2008年 / 43卷 / 02期

关键词：

regular (Platonic) polyhedra; semiregular (Archimedean) polyhedra; partition of pi-electrons between faces; POLYCYCLIC CONJUGATED HYDROCARBONS; BENZENOID HYDROCARBONS; RINGS; AROMATICITY; COMPLEXITY;

D O I：

10.1007/s10910-007-9230-1

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We report for the trivalent regular and semiregular polyhedra (three Platonic and seven Archimedean carbon polyhedra) the pi-electron partition between rings of various sizes based on considering all their resonance structures. It was found that small odd-membered (3-and 5-membered) faces are assigned a lower share of pi-electrons than that corresponding to equipartition (i.e., 1/3 of an electron for carbon atoms shared between three rings). In contrast, 4-membered rings obtain a larger share of pi-electrons than that corresponding to equipartition.

引用

页码：773 / 779

页数：7

共 14 条

[1] Partitioning of π-electrons in rings of aza-derivatives of polycyclic benzenoid hydrocarbons [J].