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spectroscopy
Global aromaticity at the nanoscale
Does aromaticity have a size limit? Evidence is presented for global aromaticity in porphyrin nanorings with circuits of up to 162 …
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Mechanisms of IR amplification in radical cation polarons
Break down of the Born–Oppenheimer approximation is caused by mixing of electronic and vibrational transitions in the radical cations …
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Time-Resolved Structural Dynamics of Extended π-Electron Porphyrin Nanoring
The design of molecular structures inspired by naturally occuring light harvesting systems has been intensely pursued over the last …
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Aromaticity and Antiaromaticity in the Excited States of Porphyrin Nanorings
Aromaticity can be a useful concept for predicting the behavior of excited states. Here we show that π-conjugated porphyrin nanorings …
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Global Aromaticity and Antiaromaticity in Porphyrin Nanoring Anions
Doping, through oxidation or reduction, is often used to modify the properties of π-conjugated oligomers. In most cases, the resulting …
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Detection of a weak ring current in a nonaromatic porphyrin nanoring using magnetic circular dichroism
We compare the absorption and magnetic circular dichroism (MCD) spectra of a series of porphyrin oligomers – dimer, tetramer, and …
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Electronic Delocalization in the Radical Cations of Porphyrin Oligomer Molecular Wires
The radical cations of a family of π-conjugated porphyrin arrays have been investigated: linear chains of N = 1–6 porphyrins, a …
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Aromatic and antiaromatic ring currents in a molecular nanoring
Aromatic and antiaromatic molecules—which have delocalized circuits of [4n + 2] or [4n] electrons, respectively—exhibit ring currents …
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Harnessing NMR relaxation interference effects to characterise supramolecular assemblies
Solution-state NMR spectroscopy remains the primary method for characterising synthetic supramolecular assemblies. Yet, in their NMR …
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Experimental and computational evaluation of the barrier to torsional rotation in a butadiyne-linked porphyrin dimer
The barrier to torsional rotation in a butadiyne-linked porphyrin dimer has been determined in solution using variable temperature …
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