TY - JOUR A1 - Xu, H.-J. A1 - Mack, J. A1 - Wu, D. A1 - Xue, Z.-L. A1 - Descalzo López, Ana Belén A1 - Rurack, Knut A1 - Kobayashi, N. A1 - Shen, Z. T1 - Synthesis and properties of fused-ring-expanded porphyrins that were core-modified with group 16 heteroatoms JF - Chemistry - A European journal N2 - The synthesis of a series of novel core-modified and fused-ring-expanded tetraphenylporphyrins is reported. Theoretical calculations and magnetic circular dichroism (MCD) and fluorescence spectroscopic measurements were used to analyze the effect of core modification with Group 16 oxygen, sulfur, selenium, and tellurium atoms on the optical properties and electronic structures of the porphyrins. Marked redshifts of the Q and B bands and accelerated intersystem-crossing rates were observed, thus making these compounds potentially suitable for use in a variety of applications. The scope for further fine-tuning of these optical properties based on additional structural modifications, such as the incorporation of fused benzene rings to form ABAB structures by using a thiophene precursor with a fused bicyclo[2.2.2]octadiene ring and the introduction of various substituents onto the meso-phenyl rings, is also examined. KW - Density functional calculations KW - Fluorescence KW - MCD spectroscopy KW - Porphyrinoids KW - Ring expansion PY - 2012 DO - https://doi.org/10.1002/chem.201200956 SN - 0947-6539 SN - 1521-3765 VL - 18 IS - 52 SP - 16844 EP - 16867 PB - Wiley-VCH Verl. CY - Weinheim AN - OPUS4-27488 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -