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

By Inmaculada Garcia Cuesta, Jose Sanchez Marin, Thomas Pedersen, Henrik Koch and Alfredo M J Sanchez De Meras

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

Topics: Theoretical Chemistry
Publisher: 'Royal Society of Chemistry (RSC)'
Year: 2008
DOI identifier: 10.1039/b713459b
OAI identifier: oai:lup.lub.lu.se:cde55967-dbe8-4f1e-a454-ec0226223175
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