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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
, Karuppaiah Karunanithi
Published in Springer India
2016
Volume: 128
   
Issue: 4
Pages: 501 - 509
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 porphyrin ring with the maximum root-mean-square (r.m.s.) which is the average deviation of the 24 core atoms from their least-squares plane by 0.056(3) Å while MT(3′,5′-DFP)P (Cu(II), 4 and Zn(II), 5) structures feature significant distortion of the macrocycle (r.m.s. = 0.22(2) Å). Nearly planar structures 1-3 revealed more number of intermolecular short contacts than that observed in nonplanar structures 4 and 5. Normal coordinate structure decomposition analysis of the structures 1-3 revealed negligible wave distortion of the macrocycle but 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 to intermolecular interactions and/or crystal packing forces. © 2016 Indian Academy of Sciences.
About the journal
JournalData powered by TypesetJournal of Chemical Sciences
PublisherData powered by TypesetSpringer India
ISSN09743626
Open AccessYes
Concepts (18)
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    Copper
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    Copper compounds
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    Crystal structure
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    Geometry
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    Metal complexes
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    Porphyrins
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    Single crystals
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    Zinc
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    Zinc compounds
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    CRYSTAL PACKING FORCES
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    Intermolecular interactions
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    LEAST-SQUARES PLANE
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    MESO-TETRAARYLPORPHYRINS
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    NON-PLANAR STRUCTURES
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    NSD ANALYSIS
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    ROOT-MEAN-SQUARE (R.M.S.)
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    SOLVATED STRUCTURES
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    Crystal atomic structure