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Creators/Authors contains: "Grace, Haleigh M"

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  1. ; ; ; (, Journal of Porphyrins and Phthalocyanines)
    Magnetic circular dichroism (MCD) and UV-Vis-NIR spectroscopy were used to investigate the spectroscopic signatures of the triplet-multiplet and other transitions observed in the simplest [Formula: see text] (PctBuCu and Pc(SO3Na)4Cu) and [Formula: see text] (PctBuV=O and TPz(OAr)8V=O) phthalocyanine systems. Density Functional Theory (DFT) and time-dependent DFT (TDDFT) calculations allowed accurate correlation between the experimental and theoretical data. In particular, similarities between vibronic profiles in Q-band and triplet-multiplet band regions as well as the presence of MCD [Formula: see text]-terms associated with the 0-0 transitions support the relationship between the Q- and triplet-multiplet transitions. 
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    Free, publicly-accessible full text available February 1, 2026