Partitioning of π-Electrons in Rings of Fibonacenes-Reference-Cited by-同舟云学术

Partitioning of π-Electrons in Rings of Fibonacenes

Published:2005-03-01 Issue:3 Volume:60 Page:171-176
ISSN:1865-7109
Container-title:Zeitschrift für Naturforschung A
language:en
Short-container-title:

Author:

Gutman Ivan¹,Balaban Alexandru T.²,Randić Milan³,Kiss-Tóth Christian⁴

Affiliation:

1. Faculty of Science, University of Kragujevac, P. O. Box 60, 34000 Kragujevac, Serbia and Montenegro

2. Texas A & M University at Galveston, 5007 Avenue U, Galveston, TX 77551, USA

3. National Institute of Chemistry, P. O. Box 3430, 1001 Ljubljana, Slovenia

4. c Árpád High School, 1034 Budapest, Hungary

Abstract

The partitioning of π-electrons into rings of benzenoid hydrocarbons is examined in the case of fibonacenes. It is demonstrated that the π-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 π-electrons.

Publisher

Walter de Gruyter GmbH

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy,Mathematical Physics

Link

https://www.degruyter.com/document/doi/10.1515/zna-2005-0307/pdf

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