Relative thermochemical stabilities and reactivities of benzo[a]pyrene and selected isomers

Document Type

Article

Publication Date

1-1-1984

Abstract

Gas-phase standard enthalpies of formation are calculated for benzo[a]pyrene and thirty-two isomeric polycyclic aromatic hydrocarbons including compounds having four-five- and seven-membered rings. Additionally, reactivity data are summarized and include experimental ionization potentials, Hückel highest occupied molecular orbitals and selected reactivity indices. These data are compared with levels of those C20H12 hydrocarbons reported in the atmosphere. These thermodynamic and kinetic parameters are useful reference points for understanding the stabilities of airborne PAH. Additionally, the data tabulations may be useful in predicting the existence of PAH not yet reported in environmental samples. © 1984.

Identifier

0021677381 (Scopus)

Publication Title

Science of the Total Environment the

External Full Text Location

https://doi.org/10.1016/0048-9697(84)90352-8

ISSN

00489697

First Page

219

Last Page

230

Issue

1

Volume

40

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