FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2064506883> ?p ?o ?g. }

• W2064506883 endingPage "5435" @default.
• W2064506883 startingPage "5426" @default.
• W2064506883 abstract "1,3-Dipolar additions of C60 with dipoles, diazomethane, nitrile oxide, and nitrone have been modeled at the B3LYP/6-31G(d,p)//AM1 level, and their mechanism, regiochemistry, and nature of addition are investigated. All of these reactions lead to the formation of fullerene fused heterocycles; theoretically, these reactions can take up four types of additions, viz., closed [6,6], open [5,6], closed [5,6], and open [6,6] additions, and all of them have been examined. Energetics and thermodynamic analysis of these reactions show that closed [5,6] and open [6,6] additions are not probable and that closed [6,6] additions are the most favored ones and follow a concerted mechanism. Experimental evidence that C60−diazomethane reactions yielded closed [6,6] fullerenopyrazoline provides good support to the theoretical predictions. The observed order of reactivity has been explained based on the double bond character, forcing double bonds in the pentagons of C60, and strain. During the addition, dipoles distort more than C60 and concerted closed [6,6] TSs are found to be more reactant-like or early TS. Inclusion of toluene as solvent through the PCM model increases the reaction rate and exothermicity. NICS values computed at the centers of the reacting benzenoid ring of fullerene clearly reveal, in both open and closed additions, the loss in them of aromaticity during the reaction." @default.
• W2064506883 created "2016-06-24" @default.
• W2064506883 creator A5005286265 @default.
• W2064506883 creator A5081315907 @default.
• W2064506883 date "2005-06-08" @default.
• W2064506883 modified "2023-09-27" @default.
• W2064506883 title "Open versus Closed 1,3-Dipolar Additions of C₆₀: A Theoretical Investigation on Their Mechanism and Regioselectivity" @default.
• W2064506883 cites W1589137290 @default.
• W2064506883 cites W164578459 @default.
• W2064506883 cites W1963653217 @default.
• W2064506883 cites W1968359651 @default.
• W2064506883 cites W1971470506 @default.
• W2064506883 cites W1973685365 @default.
• W2064506883 cites W1974334250 @default.
• W2064506883 cites W1975853346 @default.
• W2064506883 cites W1987702006 @default.
• W2064506883 cites W1992955352 @default.
• W2064506883 cites W1996150862 @default.
• W2064506883 cites W1996887829 @default.
• W2064506883 cites W2002776280 @default.
• W2064506883 cites W2004745834 @default.
• W2064506883 cites W2005487418 @default.
• W2064506883 cites W2005943374 @default.
• W2064506883 cites W2010148248 @default.
• W2064506883 cites W2011772991 @default.
• W2064506883 cites W2016180434 @default.
• W2064506883 cites W2020856745 @default.
• W2064506883 cites W2022897213 @default.
• W2064506883 cites W2025591622 @default.
• W2064506883 cites W2032740878 @default.
• W2064506883 cites W2032811758 @default.
• W2064506883 cites W2035082944 @default.
• W2064506883 cites W2039135847 @default.
• W2064506883 cites W2039943569 @default.
• W2064506883 cites W2042944554 @default.
• W2064506883 cites W2042950898 @default.
• W2064506883 cites W2043326692 @default.
• W2064506883 cites W2052509818 @default.
• W2064506883 cites W2058628375 @default.
• W2064506883 cites W2060869584 @default.
• W2064506883 cites W2061850689 @default.
• W2064506883 cites W2062399031 @default.
• W2064506883 cites W2066731056 @default.
• W2064506883 cites W2070005238 @default.
• W2064506883 cites W2072751671 @default.
• W2064506883 cites W2076407067 @default.
• W2064506883 cites W2077545666 @default.
• W2064506883 cites W2077973224 @default.
• W2064506883 cites W2084559622 @default.
• W2064506883 cites W2086184844 @default.
• W2064506883 cites W2092673669 @default.
• W2064506883 cites W2094382143 @default.
• W2064506883 cites W2134210000 @default.
• W2064506883 cites W2142991999 @default.
• W2064506883 cites W2143981217 @default.
• W2064506883 cites W2165944706 @default.
• W2064506883 cites W2950314509 @default.
• W2064506883 cites W2950363187 @default.
• W2064506883 cites W2951558077 @default.
• W2064506883 cites W2951862349 @default.
• W2064506883 cites W2952609915 @default.
• W2064506883 cites W4205591262 @default.
• W2064506883 cites W4294236040 @default.
• W2064506883 doi "https://doi.org/10.1021/jo050348i" @default.
• W2064506883 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/15989323" @default.
• W2064506883 hasPublicationYear "2005" @default.
• W2064506883 type Work @default.
• W2064506883 sameAs 2064506883 @default.
• W2064506883 citedByCount "17" @default.
• W2064506883 countsByYear W20645068832012 @default.
• W2064506883 countsByYear W20645068832015 @default.
• W2064506883 countsByYear W20645068832016 @default.
• W2064506883 countsByYear W20645068832017 @default.
• W2064506883 countsByYear W20645068832019 @default.
• W2064506883 countsByYear W20645068832020 @default.
• W2064506883 crossrefType "journal-article" @default.
• W2064506883 hasAuthorship W2064506883A5005286265 @default.
• W2064506883 hasAuthorship W2064506883A5081315907 @default.
• W2064506883 hasConcept C142724271 @default.
• W2064506883 hasConcept C147597530 @default.
• W2064506883 hasConcept C161790260 @default.
• W2064506883 hasConcept C162862793 @default.
• W2064506883 hasConcept C178790620 @default.
• W2064506883 hasConcept C185592680 @default.
• W2064506883 hasConcept C192386470 @default.
• W2064506883 hasConcept C204787440 @default.
• W2064506883 hasConcept C2776910235 @default.
• W2064506883 hasConcept C2778142098 @default.
• W2064506883 hasConcept C2779240715 @default.
• W2064506883 hasConcept C2779440280 @default.
• W2064506883 hasConcept C2779664164 @default.
• W2064506883 hasConcept C2780374730 @default.
• W2064506883 hasConcept C29135686 @default.
• W2064506883 hasConcept C32909587 @default.
• W2064506883 hasConcept C59759590 @default.
• W2064506883 hasConcept C65024703 @default.
• W2064506883 hasConcept C68381374 @default.
• W2064506883 hasConcept C71924100 @default.

• next