Issue 72, 2002

Alignment of radicals into chains by a Markov mechanism for polarity formation

Abstract

A theoretical concept for setting up 1D magnetic interactions between organic radicals aligned into chains within channels of inclusion compounds is presented by calculating collinear intermolecular binding energies using ab initio methods, followed by a Markov model to predict the characteristic length of chains. Experimentally, inclusion crystals providing radicals in channels of perhydrotriphenylene (PHTP) and tris(o-phenylenedioxy)cyclotriphosphazene (TPP) were obtained by co-crystallisation or in-diffusion of the 1,3,5-trithia-2,4,6-triazapentalenyl radical (TTTA).

Article information

Article type
Paper
Submitted
01 mar 2002
Accepted
24 apr 2002
First published
19 júl 2002

CrystEngComm, 2002,4, 432-439

Alignment of radicals into chains by a Markov mechanism for polarity formation

H. I. Süss, T. Wuest, A. Sieber, R. Althaus, F. Budde, H. Lüthi, G. D. McManus, J. Rawson and J. Hulliger, CrystEngComm, 2002, 4, 432 DOI: 10.1039/B202194N

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