Matches in SemOpenAlex for { <https://semopenalex.org/work/W2979796668> ?p ?o ?g. }
- W2979796668 endingPage "3372" @default.
- W2979796668 startingPage "3366" @default.
- W2979796668 abstract "Abstract We demonstrate the effect of edge functionalization on the on‐surface Ullmann coupling of nano‐carbon materials. Unlike 10,10′‐Dibromo‐9,9′‐bianthryl (DBBA), which is widely known to form anthracene polymers and armchair‐edge graphene nanoribbons on Au(111), newly‐developed precursor named 5‐bromo‐11(10‐bromoanthracene‐9‐yl)anthra[2,3‐b : 7,6‐b′]dithiophene (BABAT) with isomers, which has similar structure as DBBA with one anthracene substituted with anthradithiophene, was found to make intramolecular C−C bonding instead of long anthracene polymers after annealing at 200 °C on Au(111). The mechanism was investigated using first‐principle density functional theory, which revealed that on‐surface polymerization is not kinetically preferred in case of BABAT. The reaction rate of intramolecular C−C bonding of BABAT is ∼206 times faster than that of DBBA. The intramolecular C−C bonding in DBBA biradicals, on the other hand, do not take place because of faster reverse reaction. By referring to electron density of BABAT biradicals, it was concluded that thiophene functionalization modifies distribution of electron density in BABAT radicals and facilitates electrophilic addition, leading to intramolecular C−C bonding after 200 °C annealing. These results indicate that the design of radical moiety is particularly important in the on‐surface Ullmann‐type coupling." @default.
- W2979796668 created "2019-10-18" @default.
- W2979796668 creator A5001047690 @default.
- W2979796668 creator A5017913175 @default.
- W2979796668 creator A5021216437 @default.
- W2979796668 creator A5023436027 @default.
- W2979796668 creator A5027891012 @default.
- W2979796668 creator A5038803665 @default.
- W2979796668 creator A5053229206 @default.
- W2979796668 creator A5062913380 @default.
- W2979796668 creator A5069568828 @default.
- W2979796668 creator A5084000111 @default.
- W2979796668 date "2019-10-22" @default.
- W2979796668 modified "2023-10-18" @default.
- W2979796668 title "Effect of Edge Functionalization on the Bottom‐Up Synthesis of Nano‐Graphenes" @default.
- W2979796668 cites W1204378431 @default.
- W2979796668 cites W1908817107 @default.
- W2979796668 cites W1972198418 @default.
- W2979796668 cites W1981368803 @default.
- W2979796668 cites W1990168854 @default.
- W2979796668 cites W2030582590 @default.
- W2979796668 cites W2031430816 @default.
- W2979796668 cites W2040306273 @default.
- W2979796668 cites W2044591029 @default.
- W2979796668 cites W2047205370 @default.
- W2979796668 cites W2078571947 @default.
- W2979796668 cites W2081592476 @default.
- W2979796668 cites W2140372631 @default.
- W2979796668 cites W2150687058 @default.
- W2979796668 cites W2180555938 @default.
- W2979796668 cites W2257797702 @default.
- W2979796668 cites W2258036625 @default.
- W2979796668 cites W2263605768 @default.
- W2979796668 cites W2524831521 @default.
- W2979796668 cites W2581464259 @default.
- W2979796668 cites W2616091130 @default.
- W2979796668 cites W2620552827 @default.
- W2979796668 cites W2625476405 @default.
- W2979796668 cites W2761149042 @default.
- W2979796668 cites W2773491296 @default.
- W2979796668 cites W2783515907 @default.
- W2979796668 cites W2793952721 @default.
- W2979796668 cites W2794248587 @default.
- W2979796668 cites W2798195057 @default.
- W2979796668 cites W2803605795 @default.
- W2979796668 cites W2804178337 @default.
- W2979796668 cites W2889379248 @default.
- W2979796668 cites W2908543224 @default.
- W2979796668 cites W2912006370 @default.
- W2979796668 cites W2919071034 @default.
- W2979796668 cites W3101352084 @default.
- W2979796668 cites W4250608946 @default.
- W2979796668 doi "https://doi.org/10.1002/cphc.201900510" @default.
- W2979796668 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/31596042" @default.
- W2979796668 hasPublicationYear "2019" @default.
- W2979796668 type Work @default.
- W2979796668 sameAs 2979796668 @default.
- W2979796668 citedByCount "2" @default.
- W2979796668 countsByYear W29797966682021 @default.
- W2979796668 countsByYear W29797966682022 @default.
- W2979796668 crossrefType "journal-article" @default.
- W2979796668 hasAuthorship W2979796668A5001047690 @default.
- W2979796668 hasAuthorship W2979796668A5017913175 @default.
- W2979796668 hasAuthorship W2979796668A5021216437 @default.
- W2979796668 hasAuthorship W2979796668A5023436027 @default.
- W2979796668 hasAuthorship W2979796668A5027891012 @default.
- W2979796668 hasAuthorship W2979796668A5038803665 @default.
- W2979796668 hasAuthorship W2979796668A5053229206 @default.
- W2979796668 hasAuthorship W2979796668A5062913380 @default.
- W2979796668 hasAuthorship W2979796668A5069568828 @default.
- W2979796668 hasAuthorship W2979796668A5084000111 @default.
- W2979796668 hasConcept C115537861 @default.
- W2979796668 hasConcept C147597530 @default.
- W2979796668 hasConcept C147789679 @default.
- W2979796668 hasConcept C152365726 @default.
- W2979796668 hasConcept C161790260 @default.
- W2979796668 hasConcept C171250308 @default.
- W2979796668 hasConcept C178790620 @default.
- W2979796668 hasConcept C185592680 @default.
- W2979796668 hasConcept C188027245 @default.
- W2979796668 hasConcept C192562407 @default.
- W2979796668 hasConcept C2776568683 @default.
- W2979796668 hasConcept C2779563022 @default.
- W2979796668 hasConcept C2779953032 @default.
- W2979796668 hasConcept C30080830 @default.
- W2979796668 hasConcept C44228677 @default.
- W2979796668 hasConcept C48424934 @default.
- W2979796668 hasConcept C521977710 @default.
- W2979796668 hasConcept C75079739 @default.
- W2979796668 hasConcept C75473681 @default.
- W2979796668 hasConceptScore W2979796668C115537861 @default.
- W2979796668 hasConceptScore W2979796668C147597530 @default.
- W2979796668 hasConceptScore W2979796668C147789679 @default.
- W2979796668 hasConceptScore W2979796668C152365726 @default.
- W2979796668 hasConceptScore W2979796668C161790260 @default.
- W2979796668 hasConceptScore W2979796668C171250308 @default.
- W2979796668 hasConceptScore W2979796668C178790620 @default.
- W2979796668 hasConceptScore W2979796668C185592680 @default.