182. Conjugated macrocycles. Part XXXII. Absorption spectra of tetrazaporphins and phthalocyanines. Formation of pyridine salts

TD-DFT calculations and MCD spectroscopy of porphyrin and phthalocyanine analogues: rational design of photosensitizers for PDT and NIR region sensor applications

“…The trends in the MO energies of the frontier π -MOs and in the HOMO-LUMO gaps of the analogous set of fused-ring-expanded phthalonitriles (39)(40)(41)(42)(43)(44)(45)(46)(47)(48)(49)(50)(51)(52)(53)(54), shown in Figure 7, are also broadly similar to those predicted for the corresponding Pc (1-22) and aza-BODIPY (23)(24)(25)(26)(27)(28)(29)(30)(31)(32)(33)(34)(35)(36)(37)(38) analogues. The alignments of the nodal planes of the a and s MOs (Figure 8) are similar to those of the corresponding tetraazapophyrin analogues (Figure 3), as would be anticipated based on their radial symmetry and the manner in which the 4 angular nodal planes lie on alternating sets of 8 atoms on the inner perimeter due to the M L = ± 4 properties.…”

Homotrinuclear Сomplexes of [30]Trithiadodecaazahexaphyrine with Transition Metals: Ni(II), Cu(II) and Mn(II)

“…Isotope distributions of the signals are in good agreement with those derived from theoretical calculations. It's worthy to note that Homotrinuclear Сomplexes of [30]…”

“…Homotrinuclear complexes of [30]trithiadodecaazahexaphyrine (2-4) were synthesized by interaction of H 3 Hhp with nickel(II), copper(II) or manganese(II) acetates in phenol. All compounds were characterized by UV-Vis, IR spectroscopy, mass-spectrometry and elemental analysis.…”

“…The bathochromic shifts of absorption are increased in row Cu, Mn, Ni, what is just opposite to those observed in corresponding complexes of phthlocyanine. [29][30][31][32] A signal at 3220 cm -1 corresponding to vibrations of inner N-H bonds in IR spectrum of metal-free compound 1 disappears upon complexation (Figure 4). The vibrations of -C=N-bonds, which appear as strong bands at 1624 cm -1 in spectrum of 1, are shifted in lower field to 1510 cm -1 during complexation.…”

Darstellung von Phthalocyaninen von Ib-Elementen in aprotischen Lösungsmitteln / Preparation of Phthalocyanines of lb-Elements in Aprotic Solvents

“…lb und 2 gezeigten UV-VIS-und IR-Spektren von CuLiPc(2-) mit den für Kupferphthalocyanin aus der Literatur bekannten Angaben [18,19] überein-stimmen. Das IR-Spektrum läßt weiterhin erkennen, daß sich bei der doppelten Umsetzung die dem a-Kupferphthalocyanin [19] analoge a-Modifikation von CuLiPc(2-) bildet.…”