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Published in 2017 at "Nature"
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…
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Keywords:
state;
direction;
ring currents;
ring ... See more keywords
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Published in 2022 at "Chemical Science"
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…
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Keywords:
ring currents;
cavity;
polariton ring;
circular dichroism ... See more keywords
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Published in 2017 at "Canadian Journal of Chemistry"
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…
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Keywords:
annulated dihydropyrenes;
ring currents;
benzene;
benzene really ... See more keywords
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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…
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Keywords:
ground;
hlpm;
ring currents;
triplet ground ... See more keywords