Matches in SemOpenAlex for { <https://semopenalex.org/work/W2885683734> ?p ?o ?g. }
- W2885683734 endingPage "10834" @default.
- W2885683734 startingPage "10826" @default.
- W2885683734 abstract "Pentafulvalene is a symmetrical unsaturated hydrocarbon built from two five-membered rings connected by an exocyclic double bond, where each ring is one electron short of being a 6π-electron aromatic system. Here, we show computationally that by selectively introducing electron withdrawing and donating substituents, we can design pentafulvalene derivatives that exhibit tunable aromaticity properties. Pentafulvalene can be shaped into a species with connected aromatic–antiaromatic rings, which can also achieve π-bond shifting by carbon tunneling. We propose an NMR technique that can experimentally prove such tunneling mechanism. In addition, we devised a doubly aromatic fulvalene involving both Hückel and Baird aromaticities. These results can open possibilities to create novel molecules in terms of spin state, aromaticity, and reactivity by quantum tunneling." @default.
- W2885683734 created "2018-08-22" @default.
- W2885683734 creator A5011933204 @default.
- W2885683734 creator A5042210822 @default.
- W2885683734 date "2018-08-16" @default.
- W2885683734 modified "2023-10-02" @default.
- W2885683734 title "Tuning the Spin, Aromaticity, and Quantum Tunneling in Computationally Designed Fulvalenes" @default.
- W2885683734 cites W1512716428 @default.
- W2885683734 cites W1814656736 @default.
- W2885683734 cites W1819333446 @default.
- W2885683734 cites W1929987042 @default.
- W2885683734 cites W1964056216 @default.
- W2885683734 cites W1970060600 @default.
- W2885683734 cites W1973114740 @default.
- W2885683734 cites W1977024263 @default.
- W2885683734 cites W1988091937 @default.
- W2885683734 cites W1991460574 @default.
- W2885683734 cites W1998994494 @default.
- W2885683734 cites W1999387831 @default.
- W2885683734 cites W2001781331 @default.
- W2885683734 cites W2003516675 @default.
- W2885683734 cites W2003958519 @default.
- W2885683734 cites W2006705017 @default.
- W2885683734 cites W2007189036 @default.
- W2885683734 cites W2013032090 @default.
- W2885683734 cites W2018297963 @default.
- W2885683734 cites W2019983220 @default.
- W2885683734 cites W2036110407 @default.
- W2885683734 cites W2036274127 @default.
- W2885683734 cites W2042612222 @default.
- W2885683734 cites W2043057740 @default.
- W2885683734 cites W2045210181 @default.
- W2885683734 cites W2045636278 @default.
- W2885683734 cites W2050893571 @default.
- W2885683734 cites W2051731568 @default.
- W2885683734 cites W2053520383 @default.
- W2885683734 cites W2058144029 @default.
- W2885683734 cites W2068077887 @default.
- W2885683734 cites W2070005238 @default.
- W2885683734 cites W2070904138 @default.
- W2885683734 cites W2074092972 @default.
- W2885683734 cites W2074540811 @default.
- W2885683734 cites W2075559657 @default.
- W2885683734 cites W2081035909 @default.
- W2885683734 cites W2081160491 @default.
- W2885683734 cites W2081996883 @default.
- W2885683734 cites W2093401895 @default.
- W2885683734 cites W2095512400 @default.
- W2885683734 cites W2096785312 @default.
- W2885683734 cites W2103604779 @default.
- W2885683734 cites W2113926430 @default.
- W2885683734 cites W2120059112 @default.
- W2885683734 cites W2122503682 @default.
- W2885683734 cites W2124777245 @default.
- W2885683734 cites W2128542688 @default.
- W2885683734 cites W2138076683 @default.
- W2885683734 cites W2140976435 @default.
- W2885683734 cites W2144088534 @default.
- W2885683734 cites W2149533343 @default.
- W2885683734 cites W2153127835 @default.
- W2885683734 cites W2165131446 @default.
- W2885683734 cites W2174049999 @default.
- W2885683734 cites W2312655592 @default.
- W2885683734 cites W2318138110 @default.
- W2885683734 cites W2323886211 @default.
- W2885683734 cites W2330586915 @default.
- W2885683734 cites W2330599523 @default.
- W2885683734 cites W2469191511 @default.
- W2885683734 cites W2535456580 @default.
- W2885683734 cites W2726770424 @default.
- W2885683734 cites W2746794166 @default.
- W2885683734 cites W2751098975 @default.
- W2885683734 cites W2792397006 @default.
- W2885683734 cites W2951601940 @default.
- W2885683734 cites W2953281340 @default.
- W2885683734 cites W4210962488 @default.
- W2885683734 cites W4211000478 @default.
- W2885683734 cites W4252378764 @default.
- W2885683734 cites W4256260662 @default.
- W2885683734 cites W4292404993 @default.
- W2885683734 cites W47026398 @default.
- W2885683734 cites W2765847304 @default.
- W2885683734 doi "https://doi.org/10.1021/acs.joc.8b01541" @default.
- W2885683734 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/30113830" @default.
- W2885683734 hasPublicationYear "2018" @default.
- W2885683734 type Work @default.
- W2885683734 sameAs 2885683734 @default.
- W2885683734 citedByCount "19" @default.
- W2885683734 countsByYear W28856837342019 @default.
- W2885683734 countsByYear W28856837342020 @default.
- W2885683734 countsByYear W28856837342021 @default.
- W2885683734 countsByYear W28856837342022 @default.
- W2885683734 countsByYear W28856837342023 @default.
- W2885683734 crossrefType "journal-article" @default.
- W2885683734 hasAuthorship W2885683734A5011933204 @default.
- W2885683734 hasAuthorship W2885683734A5042210822 @default.
- W2885683734 hasConcept C120398109 @default.
- W2885683734 hasConcept C121332964 @default.