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 …
PDF Cite DOI
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 …
PDF Cite DOI
Mechanisms of IR amplification in radical cation polarons
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 …
PDF Cite DOI
Probing the orientation of porphyrin oligomers in a liquid crystal solvent – a triplet state electron paramagnetic resonance study
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 …
PDF Cite DOI
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 …
PDF Cite DOI
Global Aromaticity and Antiaromaticity in Porphyrin Nanoring Anions
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 …
PDF Cite DOI
Band Structures of Periodic Porphyrin Nanostructures
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 …
PDF Cite DOI
Electronic Delocalization in the Radical Cations of Porphyrin Oligomer Molecular Wires
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 …
PDF Cite DOI
Quantifying the exchange coupling in linear copper porphyrin oligomers
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 …
PDF Cite DOI
Constructive quantum interference in a bis-copper six-porphyrin nanoring
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 …
PDF Cite DOI
Aromatic and antiaromatic ring currents in a molecular nanoring