Aromatic and antiaromatic ring currents in a molecular nanoring
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DOI: 10.1038/nature20798
Abstract: Aromatic and antiaromatic molecules—which have delocalized circuits of [4n + 2] or [4n] electrons, respectively—exhibit ring currents around their perimeters. The direction of the ring current in an aromatic molecule is such as to generate a magnetic… read more here.
Keywords: state; direction; ring currents; ring ... See more keywords
Polariton ring currents and circular dichroism of Mg-porphyrin in a chiral cavity
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DOI: 10.1039/d1sc04341b
Abstract: By placing Mg-porphyrin molecules in a chiral optical cavity, time reversal symmetry is broken, and polariton ring currents can be generated with linearly polarized light, resulting in a circular dichroism signal. Since the electronic state… read more here.
Keywords: ring currents; cavity; polariton ring; circular dichroism ... See more keywords
Is (benzene)Cr(CO)3 really more aromatic than benzene
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DOI: 10.1139/cjc-2016-0334
Abstract: (benzene)Cr(CO)3 was claimed to be more aromatic than benzene, based on the central 1H Me chemical shifts in dimethyldihydropyrene annulated to it. In this paper, several dihydropyrenes are computationally investigated. NICS-scan methods are used to… read more here.
Keywords: annulated dihydropyrenes; ring currents; benzene; benzene really ... See more keywords
Some Observations on Triplet Ground-States in the Context of ‘Topological’ (HLPM) Ring-Currents in Conjugated Systems
Sign Up to like & getrecommendations! Published in 2019 at "Croatica chemica acta"
DOI: 10.5562/cca3538
Abstract: When the quasi graph-theoretical Hückel–London–Pople–McWeeny (HLPM) approach is used to calculate ‘topological’ π-electron ring-currents and bond-currents in conjugated hydrocarbons, a problem is identified that occurs whenever application of the Aufbau process gives rise to a… read more here.
Keywords: ground; hlpm; ring currents; triplet ground ... See more keywords