Total π-electron energy of phenylenes: Bounds and approximate expressions

I. Gutman; Ž. Tomović

doi:10.1007/s007060170042

Total π-electron energy of phenylenes: Bounds and approximate expressions

I. Gutman, Ž. Tomović

Research output: Contribution to journal › Article › Academic › peer-review

7 Citations (Scopus)

Abstract

The structure dependence of the total π-electron energy E (and therefore of the thermodynamic stability) of phenylenes is examined. Sharp and narrow upper and lower bounds for E are obtained. The gross part of E (above 99%) is determined by the size of the phenylene molecule, measured by the number h of hexagons. An approximate mathematical form of the dependence of E on h is established.

Original language	English
Pages (from-to)	1023-1029
Number of pages	7
Journal	Monatshefte für Chemie
Volume	132
Issue number	9
DOIs	https://doi.org/10.1007/s007060170042
Publication status	Published - 1 Jan 2001
Externally published	Yes

Keywords

Chemical graph theory
Phenylenes
Total π-electron energy

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10.1007/s007060170042

Cite this

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title = "Total π-electron energy of phenylenes: Bounds and approximate expressions",

abstract = "The structure dependence of the total π-electron energy E (and therefore of the thermodynamic stability) of phenylenes is examined. Sharp and narrow upper and lower bounds for E are obtained. The gross part of E (above 99\%) is determined by the size of the phenylene molecule, measured by the number h of hexagons. An approximate mathematical form of the dependence of E on h is established.",

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T2 - Bounds and approximate expressions

AU - Gutman, I.

AU - Tomović, Ž.

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N2 - The structure dependence of the total π-electron energy E (and therefore of the thermodynamic stability) of phenylenes is examined. Sharp and narrow upper and lower bounds for E are obtained. The gross part of E (above 99%) is determined by the size of the phenylene molecule, measured by the number h of hexagons. An approximate mathematical form of the dependence of E on h is established.

AB - The structure dependence of the total π-electron energy E (and therefore of the thermodynamic stability) of phenylenes is examined. Sharp and narrow upper and lower bounds for E are obtained. The gross part of E (above 99%) is determined by the size of the phenylene molecule, measured by the number h of hexagons. An approximate mathematical form of the dependence of E on h is established.

KW - Chemical graph theory

KW - Phenylenes

KW - Total π-electron energy

UR - https://www.scopus.com/pages/publications/57249116141

U2 - 10.1007/s007060170042

DO - 10.1007/s007060170042

M3 - Article

AN - SCOPUS:57249116141

SN - 0026-9247

VL - 132

SP - 1023

EP - 1029

JO - Monatshefte für Chemie

JF - Monatshefte für Chemie

IS - 9

ER -

Total π-electron energy of phenylenes: Bounds and approximate expressions

Abstract

Keywords

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