FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2021642606> ?p ?o ?g. }

• W2021642606 endingPage "4530" @default.
• W2021642606 startingPage "4526" @default.
• W2021642606 abstract "A theoretical analysis is presented concerning the study of the influence of the substituent X on the acidity of a set of parasubstituted phenols X−C6H4OH. Linear correlation analyses between calculated Gibbs free energy changes on dissociation of parasubstituted phenols in the gas phase (ΔG°), the hydrogen atom charge of X−C6H4OH (qH), and the electronegativity of the fragment X−C6H4O (χXC6H4O) show that acidity is related to qH and χXC6H4O. When the electronegativity increases, the hydrogen atom charge and the acidity of the parasubstituted phenols increase as well. These results suggest that there is no direct interaction between the X substituent and the hydrogen atom; the effect is primarily due to the interaction of X with the C6H4O group. The substituent does transmit its effect through the π system of the benzene ring, and qH shows the effect of the electronegativity of the fragment X−C6H4O on the hydrogen atom. Analytical equations obtained from density functional theory (DFT) and the hard and soft acids and bases principle (HSAB) provide guidelines to obtain a quantitative description of the fit parameters in the linear correlation equations. The results obtained suggest that qH is representative of the gas-phase acidity of parasubstituted phenols." @default.
• W2021642606 created "2016-06-24" @default.
• W2021642606 creator A5005917235 @default.
• W2021642606 creator A5080132528 @default.
• W2021642606 date "2003-05-13" @default.
• W2021642606 modified "2023-09-26" @default.
• W2021642606 title "Is the Hydrogen Atomic Charge Representative of the Acidity of Parasubstituted Phenols?" @default.
• W2021642606 cites W1974700168 @default.
• W2021642606 cites W1975453844 @default.
• W2021642606 cites W1994498717 @default.
• W2021642606 cites W1995590087 @default.
• W2021642606 cites W1996204577 @default.
• W2021642606 cites W2008708918 @default.
• W2021642606 cites W2023272709 @default.
• W2021642606 cites W2044202126 @default.
• W2021642606 cites W2051682290 @default.
• W2021642606 cites W2062470770 @default.
• W2021642606 cites W2065845767 @default.
• W2021642606 cites W2067728289 @default.
• W2021642606 cites W2088842717 @default.
• W2021642606 cites W2089314020 @default.
• W2021642606 cites W2093367613 @default.
• W2021642606 cites W2104270638 @default.
• W2021642606 cites W2111131814 @default.
• W2021642606 cites W2131888381 @default.
• W2021642606 cites W2342556788 @default.
• W2021642606 cites W2503005323 @default.
• W2021642606 cites W2949142887 @default.
• W2021642606 cites W2950007752 @default.
• W2021642606 cites W4244806755 @default.
• W2021642606 cites W4248110726 @default.
• W2021642606 cites W4251444688 @default.
• W2021642606 cites W69167756 @default.
• W2021642606 doi "https://doi.org/10.1021/jp027351f" @default.
• W2021642606 hasPublicationYear "2003" @default.
• W2021642606 type Work @default.
• W2021642606 sameAs 2021642606 @default.
• W2021642606 citedByCount "16" @default.
• W2021642606 countsByYear W20216426062013 @default.
• W2021642606 countsByYear W20216426062015 @default.
• W2021642606 countsByYear W20216426062018 @default.
• W2021642606 countsByYear W20216426062020 @default.
• W2021642606 countsByYear W20216426062022 @default.
• W2021642606 crossrefType "journal-article" @default.
• W2021642606 hasAuthorship W2021642606A5005917235 @default.
• W2021642606 hasAuthorship W2021642606A5080132528 @default.
• W2021642606 hasConcept C102931765 @default.
• W2021642606 hasConcept C147597530 @default.
• W2021642606 hasConcept C147789679 @default.
• W2021642606 hasConcept C149635348 @default.
• W2021642606 hasConcept C152365726 @default.
• W2021642606 hasConcept C155647269 @default.
• W2021642606 hasConcept C177293861 @default.
• W2021642606 hasConcept C178790620 @default.
• W2021642606 hasConcept C185592680 @default.
• W2021642606 hasConcept C2776640939 @default.
• W2021642606 hasConcept C2777691172 @default.
• W2021642606 hasConcept C2777728882 @default.
• W2021642606 hasConcept C2778689049 @default.
• W2021642606 hasConcept C2781311116 @default.
• W2021642606 hasConcept C35396096 @default.
• W2021642606 hasConcept C41008148 @default.
• W2021642606 hasConcept C47548479 @default.
• W2021642606 hasConcept C512968161 @default.
• W2021642606 hasConcept C58312451 @default.
• W2021642606 hasConceptScore W2021642606C102931765 @default.
• W2021642606 hasConceptScore W2021642606C147597530 @default.
• W2021642606 hasConceptScore W2021642606C147789679 @default.
• W2021642606 hasConceptScore W2021642606C149635348 @default.
• W2021642606 hasConceptScore W2021642606C152365726 @default.
• W2021642606 hasConceptScore W2021642606C155647269 @default.
• W2021642606 hasConceptScore W2021642606C177293861 @default.
• W2021642606 hasConceptScore W2021642606C178790620 @default.
• W2021642606 hasConceptScore W2021642606C185592680 @default.
• W2021642606 hasConceptScore W2021642606C2776640939 @default.
• W2021642606 hasConceptScore W2021642606C2777691172 @default.
• W2021642606 hasConceptScore W2021642606C2777728882 @default.
• W2021642606 hasConceptScore W2021642606C2778689049 @default.
• W2021642606 hasConceptScore W2021642606C2781311116 @default.
• W2021642606 hasConceptScore W2021642606C35396096 @default.
• W2021642606 hasConceptScore W2021642606C41008148 @default.
• W2021642606 hasConceptScore W2021642606C47548479 @default.
• W2021642606 hasConceptScore W2021642606C512968161 @default.
• W2021642606 hasConceptScore W2021642606C58312451 @default.
• W2021642606 hasIssue "22" @default.
• W2021642606 hasLocation W20216426061 @default.
• W2021642606 hasOpenAccess W2021642606 @default.
• W2021642606 hasPrimaryLocation W20216426061 @default.
• W2021642606 hasRelatedWork W144462620 @default.
• W2021642606 hasRelatedWork W2001284289 @default.
• W2021642606 hasRelatedWork W2004163323 @default.
• W2021642606 hasRelatedWork W2008336174 @default.
• W2021642606 hasRelatedWork W2015307931 @default.
• W2021642606 hasRelatedWork W2072453556 @default.
• W2021642606 hasRelatedWork W2160154583 @default.
• W2021642606 hasRelatedWork W2312824206 @default.
• W2021642606 hasRelatedWork W2391054193 @default.
• W2021642606 hasRelatedWork W3201215196 @default.

• next