Matches in SemOpenAlex for { <https://semopenalex.org/work/W4378573959> ?p ?o ?g. }
- W4378573959 abstract "Abstract Aromaticity can be assigned by Hückel’s rule, which predicts that planar rings with delocalized (4 n + 2) π-electrons are aromatic, whereas those with 4 n π-electrons are antiaromatic. However, for neutral rings, the maximal value of “ n” to which Hückel’s rule applies remains unknown. Large macrocycles exhibiting global ring current can serve as models for addressing this question, but the global ring current are often overshadowed in these molecules by the local ring current of the constituent units. Here, we present a series of furan-acetylene macrocycles, ranging from the pentamer to octamer, whose neutral states display alternating contributions from global aromatic and antiaromatic ring currents. We find that the odd-membered macrocycles display global aromatic characteristics, whereas the even-membered macrocycles display contributions from globally antiaromatic ring current. These factors are expressed electronically (oxidation potentials), optically (emission spectra), and magnetically (chemical shifts), and DFT calculations predict global ring current alternations up to 54 π-electrons." @default.
- W4378573959 created "2023-05-28" @default.
- W4378573959 creator A5007945475 @default.
- W4378573959 creator A5028572028 @default.
- W4378573959 creator A5048116700 @default.
- W4378573959 creator A5070076368 @default.
- W4378573959 creator A5086585925 @default.
- W4378573959 date "2023-05-27" @default.
- W4378573959 modified "2023-10-06" @default.
- W4378573959 title "Alternating behavior in furan-acetylene macrocycles reveals the size-dependency of Hückel’s rule in neutral molecules" @default.
- W4378573959 cites W1524660474 @default.
- W4378573959 cites W1978839361 @default.
- W4378573959 cites W1999119115 @default.
- W4378573959 cites W2000840224 @default.
- W4378573959 cites W2001351184 @default.
- W4378573959 cites W2036984244 @default.
- W4378573959 cites W2053248916 @default.
- W4378573959 cites W2058456123 @default.
- W4378573959 cites W2077199135 @default.
- W4378573959 cites W2079389279 @default.
- W4378573959 cites W2106478879 @default.
- W4378573959 cites W2114808288 @default.
- W4378573959 cites W2121364547 @default.
- W4378573959 cites W2155849477 @default.
- W4378573959 cites W2162066516 @default.
- W4378573959 cites W2167188767 @default.
- W4378573959 cites W2167716066 @default.
- W4378573959 cites W2280356195 @default.
- W4378573959 cites W2324790031 @default.
- W4378573959 cites W2753266775 @default.
- W4378573959 cites W2788008873 @default.
- W4378573959 cites W2932253631 @default.
- W4378573959 cites W2949394667 @default.
- W4378573959 cites W2951354284 @default.
- W4378573959 cites W2969647220 @default.
- W4378573959 cites W2977886801 @default.
- W4378573959 cites W3002414675 @default.
- W4378573959 cites W3023334217 @default.
- W4378573959 cites W3125604937 @default.
- W4378573959 cites W3130097370 @default.
- W4378573959 cites W3131437188 @default.
- W4378573959 cites W3155902737 @default.
- W4378573959 cites W3157925649 @default.
- W4378573959 cites W3184380155 @default.
- W4378573959 cites W3187252597 @default.
- W4378573959 cites W3211311128 @default.
- W4378573959 cites W3213724506 @default.
- W4378573959 cites W4250615106 @default.
- W4378573959 cites W4285077618 @default.
- W4378573959 cites W4285095046 @default.
- W4378573959 cites W4290033662 @default.
- W4378573959 cites W4293103784 @default.
- W4378573959 cites W4318071417 @default.
- W4378573959 cites W4318708223 @default.
- W4378573959 doi "https://doi.org/10.1038/s42004-023-00902-9" @default.
- W4378573959 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/37244950" @default.
- W4378573959 hasPublicationYear "2023" @default.
- W4378573959 type Work @default.
- W4378573959 citedByCount "0" @default.
- W4378573959 crossrefType "journal-article" @default.
- W4378573959 hasAuthorship W4378573959A5007945475 @default.
- W4378573959 hasAuthorship W4378573959A5028572028 @default.
- W4378573959 hasAuthorship W4378573959A5048116700 @default.
- W4378573959 hasAuthorship W4378573959A5070076368 @default.
- W4378573959 hasAuthorship W4378573959A5086585925 @default.
- W4378573959 hasBestOaLocation W43785739591 @default.
- W4378573959 hasConcept C111429119 @default.
- W4378573959 hasConcept C115260700 @default.
- W4378573959 hasConcept C121332964 @default.
- W4378573959 hasConcept C147120987 @default.
- W4378573959 hasConcept C147597530 @default.
- W4378573959 hasConcept C147789679 @default.
- W4378573959 hasConcept C159467904 @default.
- W4378573959 hasConcept C178790620 @default.
- W4378573959 hasConcept C185592680 @default.
- W4378573959 hasConcept C192386470 @default.
- W4378573959 hasConcept C199635899 @default.
- W4378573959 hasConcept C20362734 @default.
- W4378573959 hasConcept C2777517455 @default.
- W4378573959 hasConcept C2778659115 @default.
- W4378573959 hasConcept C2780378348 @default.
- W4378573959 hasConcept C32909587 @default.
- W4378573959 hasConcept C55213715 @default.
- W4378573959 hasConcept C62520636 @default.
- W4378573959 hasConcept C70050531 @default.
- W4378573959 hasConcept C8010536 @default.
- W4378573959 hasConcept C9844520 @default.
- W4378573959 hasConceptScore W4378573959C111429119 @default.
- W4378573959 hasConceptScore W4378573959C115260700 @default.
- W4378573959 hasConceptScore W4378573959C121332964 @default.
- W4378573959 hasConceptScore W4378573959C147120987 @default.
- W4378573959 hasConceptScore W4378573959C147597530 @default.
- W4378573959 hasConceptScore W4378573959C147789679 @default.
- W4378573959 hasConceptScore W4378573959C159467904 @default.
- W4378573959 hasConceptScore W4378573959C178790620 @default.
- W4378573959 hasConceptScore W4378573959C185592680 @default.
- W4378573959 hasConceptScore W4378573959C192386470 @default.
- W4378573959 hasConceptScore W4378573959C199635899 @default.
- W4378573959 hasConceptScore W4378573959C20362734 @default.
- W4378573959 hasConceptScore W4378573959C2777517455 @default.