Mostrar el registro sencillo del ítem
An unprecedented π-electronic circuit involving an odd number of carbon atoms in a grossly warped non-planar nanographene
dc.contributor.author | Escayola, Sílvia | |
dc.contributor.author | Poater, Albert | |
dc.contributor.author | Muñoz-Castro, Alvaro | |
dc.contributor.author | Solà, Miquel | |
dc.date.accessioned | 2021-04-05T23:00:23Z | |
dc.date.available | 2021-04-05T23:00:23Z | |
dc.date.issued | 2021-03-28 | |
dc.identifier | 10.1039/d1cc00593f | |
dc.identifier.issn | 13597345 | |
dc.identifier.uri | https://hdl.handle.net/20.500.12728/8772 | |
dc.description.abstract | The formation of π-aromatic circuits along a grossly warped nanographene, C80H30, containing five- and seven-membered rings inserted into a six-membered mesh, reveals global π-circuits at the edge of the backbone. Based on DFT calculations, one of the two most favorable circuits for π-electron delocalization formally has 50 π-electrons abiding by Hückel's rule, whereas the second one formally has 75 π-electrons and, remarkably, it does not follow any of the known rules of aromaticity. | es_ES |
dc.language.iso | en | es_ES |
dc.publisher | Royal Society of Chemistry | es_ES |
dc.title | An unprecedented π-electronic circuit involving an odd number of carbon atoms in a grossly warped non-planar nanographene | es_ES |
dc.type | Article | es_ES |