• Crystal structures of meso-tetrakis(2',6'/3',5'-difluorophenyl)porphyrins and their metal complexes: Influence of position of the fluoro groups on their structural properties

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    • Keywords


      substituted porphyrins; fluorinated porphyrins; meso-tetraarylporphyrins; crystal structures; NSD analysis.

    • Abstract


      Two series of non-solvated structures of 5,10,15,20-tetrakis(2’,6’/3’,5’-difluorophenyl)porphyrins,H2T(2’,6’/3’,5’-DFP)P and their metal (Cu(II) and Zn(II)) complexes were determined by single crystal XRD.H2(2’,6’-DFP)P, 1 and its metal (Cu(II), 2 and Zn(II), 3) complexes showed near planar geometry of the porphyrinring with the maximum root-mean-square (r.m.s.) which is the average deviation of the 24 core atomsfrom their least-squares plane by 0.056(3) Å while MT(3’,5’-DFP)P (Cu(II), 4 and Zn(II), 5) structures featuresignificant distortion of the macrocycle (r.m.s. = 0.22(2) Å). Nearly planar structures 1-3 revealed morenumber of intermolecular short contacts than that observed in nonplanar structures 4 and 5. Normal coordinatestructure decomposition analysis of the structures 1-3 revealed negligible wave distortion of the macrocyclebut the corresponding nonplanar 4 and 5 structures feature mainly ruffled combined with minimal saddled distortions.The increased nonplanarity of the less sterically hindered derivatives 4 and 5 has been ascribed tointermolecular interactions and/or crystal packing forces.

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  • Journal of Chemical Sciences | News

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