Partitioning of π-electrons in rings of fibonacenes

被引：42

作者：

Gutman, I

Balaban, AT

Randic, M

Kiss-tóth, C

机构：

[1] Univ Kragujevac, Fac Sci, YU-34000 Kragujevac, Serbia Monteneg, Serbia

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

[3] Arpad High Sch, H-1034 Budapest, Hungary

[4] Natl Inst Chem, Ljubljana 1001, Slovenia

来源：

ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES | 2005年 / 60卷 / 03期

关键词：

benzenoid hydrocarbon; fibonacene; partition of pi-electrons; pi-electron content (of a ring);

D O I：

10.1515/zna-2005-0307

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The partitioning of pi-electrons into rings of benzenoid hydrocarbons is examined in the case of fibonacenes. It is demonstrated that the pi-electron contents (ECs) of the hexagons of fibonacenes satisfy the following peculiar regularities: Let h be the number of hexagons, and EC(i) the electron content of the i-th hexagon. Then EC(i) is maximal for i = 1 and i = h, and minimal for i = 2 and i = h - 1. Going from the end towards the center of the fibonacene chain, EC(1) > EC(3) > EC(5) > (...) and EC(2) < EC(4) < EC(6) < (...) and EC(1) > EC(2) < EC(3) > EC(4) < EC(5) > EC(6) < (...) . For large values of h, the asymptotic values of EC(1) and EC(2) are 5.146 and 3.798, whereas of the central ring(s) 4 pi-electrons.

引用

页码：171 / 176

页数：6

共 18 条

[1]

ANDERSON PG, 1986, FIBONACCI NUMBERS TH, P2

[2]

[Anonymous], 1989, MATCH-COMMUN MATH CO

[3]

[Anonymous], 1989, INTRO THEORY BENZENO

[4] Partitioning of π-electrons in rings of polycyclic benzenoid hydrocarbons.: 2.: Catacondensed coronoids [J].

Balaban, AT ;

Randic, M .

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 2004, 44 (01) :50-59

[5] Partitioning of π-electrons in rings of polycyclic conjugated hydrocarbons.: 5.: Nonalternant compounds [J].

Balaban, AT ;

Randic, M .

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 2004, 44 (05) :1701-1707

[6] Partitioning of π-electrons in rings of polycyclic conjugated hydrocarbons.: Part 3.: Perifusenes [J].

Balaban, AT ;

Randic, M .

NEW JOURNAL OF CHEMISTRY, 2004, 28 (07) :800-806

[7]

BALABAN AT, 1990, POLYCYCL AROMAT COMP, V1, P171

[8] ENUMERATION AND CLASSIFICATION OF BENZENOID HYDROCARBONS .5. SOME BENZENOID HYDROCARBONS WITH EXTREMAL PROPERTIES [J].

BRUNVOLL, J ;

CYVIN, BN ;

CYVIN, SJ ;

GUTMAN, I .

ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 1988, 43 (10) :889-894

[9] TOPOLOGICAL PROPERTIES OF BENZENOID SYSTEMS .37. CHARACTERIZATION OF CERTAIN CHEMICAL GRAPHS [J].

GUTMAN, I ;

ELBASIL, S .

ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 1985, 40 (09) :923-926

[10] Algebraic Kekule structures of benzenoid hydrocarbons [J].

Gutman, I ;

Vukicevic, D ;

Graovac, A ;

Randic, M .

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 2004, 44 (02) :296-299

← 1 2 →