Work

On the aromatic stabilization energy of the 4N π electron pyrene

Year: 2009

Type: article

Abstract: The aromatic stabilization energy (ASE) of pyrene, evaluated with both isodesmic equation and ab initio valence bond (VB) theory-based block localized wavefunction (BLW) methods, gives consistent results (ca 74 kcal/mol). Biphenyl, phenanthrene and benzene, evaluated similarly, all have essentially the same ASEs per ring carbon. The aromaticity of pyrene is not diminished because of its 4n π electron count.

Source: Molecular Physics

DOI: 10.1080/00268970902784918

Authors: J.I. Wu, M.A. Dobrowolski, M.K. Cyrański, B.L. Merner, G.J. Bodwell, Y. Mo, P.v.R. Schleyer

Institutions: University of Georgia, Polish Academy of Sciences, University of Warsaw, Memorial University of Newfoundland, Western Michigan University

Language: English

Topic: Synthesis and Properties of Aromatic Compounds

Subfield: Organic Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: green

OpenAlex ID: W2147720045

FWCI: 2.58

Cites: 62

Cited by: 36

Related to: 10