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compchem
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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Probing the orientation of porphyrin oligomers in a liquid crystal solvent – a triplet state electron paramagnetic resonance study
Linear porphyrin oligomers have found various applications as synthetic molecular wires in the context of light harvesting, solar …
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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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Band Structures of Periodic Porphyrin Nanostructures
Recent progress in the synthesis of π-conjugated porphyrin arrays of different shapes and dimensionalities motivates us to examine the …
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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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Quantifying the exchange coupling in linear copper porphyrin oligomers
Linear π-conjugated porphyrin oligomers are of significant current interest due to their potential applications as molecular wires. In …
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Constructive quantum interference in a bis-copper six-porphyrin nanoring
Quantum interference in charge transport is attracting interest with applications in nanoelectronics and quantum computing. Here, the …
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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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