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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Global aromaticity at the nanoscale
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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Mechanisms of IR amplification in radical cation polarons
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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Time-Resolved Structural Dynamics of Extended π-Electron Porphyrin Nanoring
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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Aromaticity and Antiaromaticity in the Excited States of Porphyrin Nanorings
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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Global Aromaticity and Antiaromaticity in Porphyrin Nanoring Anions
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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Detection of a weak ring current in a nonaromatic porphyrin nanoring using magnetic circular dichroism
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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Electronic Delocalization in the Radical Cations of Porphyrin Oligomer Molecular Wires
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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Aromatic and antiaromatic ring currents in a molecular nanoring
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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Harnessing NMR relaxation interference effects to characterise supramolecular assemblies
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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Experimental and computational evaluation of the barrier to torsional rotation in a butadiyne-linked porphyrin dimer