Algebraic Kekule structures of benzenoid hydrocarbons

被引：45

作者：

Gutman, I

Vukicevic, D

Graovac, A

Randic, M

机构：

[1] Univ Split, Fac Sci, Split, Croatia

[2] Univ Kragujevac, Fac Sci, YU-34000 Kragujevac, Serbia

[3] Rudjer Boskovic Inst, Zagreb 10002, Croatia

[4] Natl Inst Chem, Ljubljana 1001, Slovenia

来源：

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 2004年 / 44卷 / 02期

关键词：

Aromatic compounds - Benzene - Electronic structure - Hydrogen bonds - Molecular structure;

D O I：

10.1021/ci030417z

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

An algebraic Kekule structure of a benzenoid hydrocarbon is obtained from an ordinary Kekule structure by inscribing into each hexagon the number of pi-electrons which (according to this Kekule structure) belong to this hexagon. We show that in the case of catafusenes, there is a one-to-one correspondence between ordinary and algebraic Kekule structures. On the other hand, in the case of perifusenes, one algebraic Kekule structure may correspond to several ordinary Kekule structures.

引用

页码：296 / 299

页数：4

共 8 条

[1]

[Anonymous], 1989, INTRO THEORY BENZENO

[2]

[Anonymous], MATCH COMMUN MATH CO

[3] TOPOLOGICAL CENTRIC CODING AND NOMENCLATURE OF POLYCYCLIC-HYDROCARBONS .1. CONDENSED BENZENOID SYSTEMS (POLYHEXES, FUSENES) [J].

BONCHEV, D ;

BALABAN, AT .

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1981, 21 (04) :223-229

[4]

CYVIN SJ, 1988, KEKULE STRUCTURES BE

[5]

GUTMAN I, 1982, MATCH MULHEIM, V13, P173

[6] Aromaticity of polycyclic conjugated hydrocarbons [J].

Randic, M .

CHEMICAL REVIEWS, 2003, 103 (09) :3449-3605

[7]

RANDIC M, IN PRESS J CHEM INF

[8]

RANDIC M, IN PRESS ALGEBRAIC K

← 1 →