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Molecular structure of electron donor-acceptor complexes of metallotetraphenylporphyrins with trinitrobenzene

Padmanabhan, M and Poojari, Damodara M and Krishnan, V (1993) Molecular structure of electron donor-acceptor complexes of metallotetraphenylporphyrins with trinitrobenzene. In: Proceedings of the Indian Academy of Sciences - Chemical Sciences, 105 (3). pp. 161-165.

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Abstract

The metallotetraphenylporphyrins, MTPPs, where M=Co(II), Cu(II) and Ag(II) form one to one molecular complexes in solution with 1,3,5-trinitrobenzene (TNB). The crystal structure of CoTPP.TNB.2CH3OH revealed that the mean separation between the porphyrin and TNB planes is 3·27 Å and the centre of the aryl ring of TNB is displaced by 0·90 Å from the centre of the porphyrin plane. Extended Huckel molecular orbital calculations suggest that acceptor orbitals are predominantly nitro-group based rather than an aryl π framework. The contribution of the metal orbitals in the donation is also seen as predicted by the structural data. Electrochemical redox measurements in solution provide evidence for charge-transfer stabilisation in these complexes.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to Indian Academy of Sciences.
Keywords: Electron donor;acceptor complexes;structural parameters ;charge;transfer interactions;metallotetraphenylporphyrins ;trinitrobenzene acceptor.
Department/Centre: Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited: 17 Feb 2011 06:35
Last Modified: 17 Feb 2011 06:35
URI: http://eprints.iisc.ernet.in/id/eprint/35620

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