Abstract
The synthesis, crystal structures and theoretical studies of two cobalt porphyrins, [CoII(TDMPP)] (1a) and [{CoII(TDMPP)}2(pyz)] (1b), (TDMPP = meso‑5,10,15,20-tetrakis(3,5-dimethoxyphenyl)porphyrin, pyz= pyrazine) is discussed. In 1b, the pyrazine is bridged between two Co-porphyrin moieties forming a binuclear Co(II) porphyrin complex. The Co•••Co nonbonding distance between two cobalt metal is 7.11 Å. This is the first report where two cobalt porphyrins are joined via a bridging pyrazine ligand. The bonding interactions of two bridged Co(II) porphyrins via the ligand is discussed using energy of frontier molecular orbitals and natural bond orbital analysis. Natural bond orbital (NBO) analysis shows that the charge transfer from the lone pair of pyrazine nitrogen atom to the anti-bonding orbital of metal cobalt (lpN(pyz)→lpCo*) has a significant role in the stabilization of the pyrazine bound structure.
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