• M Damodara Poojari

      Articles written in Journal of Chemical Sciences

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

      M Padmanabhan M Damodara Poojari V Krishnan

      More Details Abstract Fulltext PDF

      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.

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