Issue 3, 2008
From the journal:

Physical Chemistry Chemical Physics

Variation of polarizability in the [4n + 2] annulene series: from [22]- to [66]-annulene†

Inmaculada García Cuesta,a   José Sánchez Marín,a   Thomas Bondo Pedersen,b   Henrik Kochc  and  Alfredo M. J. Sánchez de Merás*a  

* Corresponding authors

a Instituto de Ciencia Molecular, Universidad de Valencia, P.O. Box 22085, Valencia, Spain
E-mail: garciain@uv.es, sanchezm@uv.es, sanchez@uv.es
Fax: +34 96 354 3576
Tel: +34 96 354 4430

b Department of Theoretical Chemistry, University of Lund, P.O. Box 124, Lund, Sweden
E-mail: Thomas.Pedersen@teokem.lu.se
Fax: +46 46 222 4543
Tel: +46 46 222 8240

c Department of Chemistry, Norwegian University of Science and Technology, Trondheim, Norway
E-mail: koch@phys.chem.ntnu.no
Fax: +47 7359 1676
Tel: +47 7359 4165

Abstract

Using correlated ab initio methods, the polarizability of large [4n + 2]-annulenes is determined, showing that there exists an almost linear relation between the exaltation of magnetic susceptibility (a measure of aromaticity) and an equivalent enlargement of polarizability.

Graphical abstract: Variation of polarizability in the [4n + 2] annulene series: from [22]- to [66]-annulene

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Article information

DOI
https://doi.org/10.1039/B713459B
Article type
Paper
Submitted
03 Sep 2007
Accepted
18 Oct 2007
First published
07 Nov 2007

Phys. Chem. Chem. Phys., 2008,10, 361-365

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Variation of polarizability in the [4n + 2] annulene series: from [22]- to [66]-annulene

I. García Cuesta, J. Sánchez Marín, T. Bondo Pedersen, H. Koch and A. M. J. Sánchez de Merás, Phys. Chem. Chem. Phys., 2008, 10, 361 DOI: 10.1039/B713459B

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