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Molecular structure of simple mono- and diphenyl meso-substituted porphyrin diacids: influence of protonation and substitution on the distorsion
Authors:Sandrine Juillard,Gé  rard Simonneaux,Loic Toupet
Affiliation:a Laboratoire de Chimie Organométallique et Biologique, UMR CNRS 6509, Université de Rennes 1, Campus de Beaulieu, 35042 Rennes Cedex, France
b Groupe de Physique Cristalline, UA CNRS 040804, Université de Rennes 1, Campus de Beaulieu, 35042 Rennes Cedex, France
Abstract:The crystal and molecular structures of three simple porphyrin diacids have been determined from X-ray diffraction data to delineate how the peripheral substituents of the porphyrin affect the overall molecular flexibility. Di-meso-substituted [DPPH4]2+(CF3CO2)2 and, mono-meso-substituted [MPPH4]2+(CF3CO2)2 and [dedmMPPH4]2+(CF3CO2)2 porphyrin diacids show increasingly saddled core conformation. Some of the spectroscopic properties (NMR and UV-visible) of the porphyrin diacids are also discussed in terms of the observed structures.
Keywords:Porphyrin diacids   Structure   Saddled   Flexibility
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