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Characterization of tetrakis(thiadiazole)porphyrazine metal complexes by magnetic circular dichroism and magnetic circularly polarized luminescence
Author(s) -
Ghidinelli Simone,
Abbate Sergio,
Mazzeo Giuseppe,
Paoloni Lorenzo,
Viola Elisa,
Ercolani Claudio,
Donzello Maria Pia,
Longhi Giovanna
Publication year - 2020
Publication title -
chirality
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.43
H-Index - 77
eISSN - 1520-636X
pISSN - 0899-0042
DOI - 10.1002/chir.23221
Subject(s) - magnetic circular dichroism , chemistry , circular dichroism , luminescence , spectral line , x ray magnetic circular dichroism , metal , crystallography , atomic orbital , nuclear magnetic resonance , physics , electron , optics , organic chemistry , quantum mechanics , astronomy
Abstract The magnetic circular dichroism (MCD) spectra of metal complexes of tetrakis(thiadiazole)porphyrazines ([TTDPzM] with M = 2H I , Zn II , Mg II (H 2 O), and Cd II ) have been recorded in dimethyl formamide solution. Together with the UV–Vis spectra, the MCD spectra provide useful information about the structure and electronic properties of the complexes. The experimental UV–Vis and MCD spectra compare pretty well with DFT calculations of two sorts, based either on the sum‐over‐states (SOS) approach or on the complex polarization propagator approach. They further corroborate the findings and interpretation of MCD spectra of porphyrazines based on the model of Michl for peripheral molecular orbitals. Magnetic circularly polarized luminescence (MCPL) spectra, quite uncommon in the literature, have been recorded for [TTDPzM] (M = 2H I , Zn II , Mg II (H 2 O)).