World Scientific Publishing, Journal of Porphyrins and Phthalocyanines, 03(03), p. 216-223
DOI: 10.1002/(sici)1099-1409(199903)3:3<216::aid-jpp125>3.0.co;2-b
World Scientific Publishing, Journal of Porphyrins and Phthalocyanines, 3(3), p. 216-223
DOI: 10.1002/(sici)1099-1409(199903)3:3<216::aid-jpp125>3.3.co;2-2
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The crystal structure of the triflate salt of the title compound, [ Me 3 TPP ][ CF 3 SO 3], was investigated to obtain structural information on the conformation of N-trimethylated 5,10,15,20-tetraarylporphyrins. The molecular stereochemistry of the cation is characterized by an up/down/up arrangement for the three N-methyl groups with significant pyramidalization at the nitrogen atoms. The macrocycle is severely distorted with an average deviation from planarity of 0.438 Å. The distortion mode is an asymmetric saddle with deviations from the 4 N plane of the C b atoms at N-methylated pyrrole rings exceeding 1.1 Å. The out-of-plane displacements of pyrrole ring IV are significantly smaller than those of the methylated pyrrole rings.