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Creators/Authors contains: "McNicholas, Brendon J"

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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
  2. ; ; ; ; ; (, Dalton Transactions)
    The electronic structures, charge-transfer, and triplet–multiplet transitions in cobalt(i), cobalt(ii), and cobalt(iii) phthalocyanines were investigated in detail by UV-vis-NIR, MCD, DFT, and TDDFT methods. 
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  3. ; ; ; ; ; ; ; ; ; ; et al (, Inorganic Chemistry)
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  4. ; ; ; ; ; ; ; ; (, Journal of the American Chemical Society)
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  5. ; ; ; (, Inorganic Chemistry)
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  6. ; ; ; ; ; ; (, Polyhedron)
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  7. ; ; ; ; ; ; (, Inorganic Chemistry)
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  8. ; ; ; ; (, Chemical Science)
    We report the synthesis and characterization of homoleptic borane adducts of hexacyanoferrate( ii ). Borane coordination blueshifts d–d transitions and CN IR and Raman frequencies. Control over redox properties is established with respect to borane Lewis acidity, reflected in peak anodic potential shifts per borane of +250 mV for BPh 3 and +350 mV for B(C 6 F 5 ) 3 . Electron transfer from [Fe(CN-B(C 6 F 5 ) 3 ) 6 ] 4− to photogenerated [Ru(2,2′-bipyridine) 3 ] 3+ is very rapid, consistent with voltammetry data. Coordination by Lewis acids provides an avenue for selective modification of the electronic structures and electrochemical properties of cyanometalates. 
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