Abstract
Sublimation enthalpies of 10,15,20–tetraphenyl-21-oxa- (I), 5,10,15,20-tetraphenyl-21-thia- (II) and 5,10,15,20-tetraphenyl-21,23-dithia- (III) porphyrines were measured by Knudsen effusion mass spectrometry: ΔHsubl.(T) = 209±2 (561 K), 224±2 (552 K) and 219±2 (577 K) kJ/mol, respectively. A structure of a free molecule of II was studied by quantum chemistry and gas-phase electron diffraction. The molecular structures of the dimeric associates of I-III were tested by quantum chemical calculations.
Supplementary materials
Title
Supplementary materials
Description
Cartesian coordinates of the optimized structures for monomeric and dimeric species, Experimental conditions of Knudsen effusion mass spectrometry, mass spectra, Calculated (B3LYP/cc-pVTZ) geometries of 5,10,15,20–
Tetraphenyl-porphyrin and its oxa-, thia- and dithia substituted heteroporphyrins, Z-matrix for GED data refinement
Actions