Matches in SemOpenAlex for { <https://semopenalex.org/work/W2320264328> ?p ?o ?g. }
- W2320264328 endingPage "5550" @default.
- W2320264328 startingPage "5542" @default.
- W2320264328 abstract "The pH-dependent kinetics of C–ON bond homolysis reactions of the four alkoxyamines (viz., the derivatives of 2-(4-(dimethylamino)-2-ethyl-5,5-dimethyl-2-(pyridin-4-yl)-2,5-dihydro-1H-imidazol-1-oxyl and 2-(2-carboxyethyl)-5,5-diethyl-2,4-dimethyl-2,5-dihydro-1H-imidazol-1-oxyl) in water solution have been scrutinized using DFT calculations (M06-2X/6-311++G(2df,p) level of theory with the PCM model). On the basis of computations, the experimental results obtained before (J. Org. Chem. 2011, 76, 5558) have been rationalized. The concentration dependence of all possible protonated forms of the four alkoxyamines was obtained from pH measurements. The contributions of particular protonated forms into the overall rate constants of thermolysis were estimated using the DFT calculated Gibbs free energies Δr0G of C–ON bond homolysis reactions. The computations revealed that the observed rate constants of thermolysis of the two species at several pH values are dominated by decomposition reactions of two or even three protonated forms. The observed trends in reactivity of the alkoxyamines were mainly attributed to destabilization of the radical products of C–ON bond scission reactions. A linear correlation between the sum of radical stabilization energies (RSEs) of products of thermolysis and the calculated Gibbs free energies of reactions was found for various protonated forms of the species studied. Apart from this, the linear correlation exists between the relative RSE and nitrogen hyperfine constants aN of various protonated forms of the nitroxide radical products." @default.
- W2320264328 created "2016-06-24" @default.
- W2320264328 creator A5064590331 @default.
- W2320264328 creator A5081652794 @default.
- W2320264328 creator A5084813525 @default.
- W2320264328 creator A5089470982 @default.
- W2320264328 date "2014-05-07" @default.
- W2320264328 modified "2023-09-27" @default.
- W2320264328 title "pH-Sensitive C–ON Bond Homolysis of Alkoxyamines of Imidazoline Series: A Theoretical Study" @default.
- W2320264328 cites W1969211890 @default.
- W2320264328 cites W1969505785 @default.
- W2320264328 cites W1971006318 @default.
- W2320264328 cites W1982540053 @default.
- W2320264328 cites W1989098036 @default.
- W2320264328 cites W1995501044 @default.
- W2320264328 cites W1997151511 @default.
- W2320264328 cites W1998581743 @default.
- W2320264328 cites W2004522491 @default.
- W2320264328 cites W2004770810 @default.
- W2320264328 cites W2008130775 @default.
- W2320264328 cites W2011964543 @default.
- W2320264328 cites W2018891639 @default.
- W2320264328 cites W2025736385 @default.
- W2320264328 cites W2026593757 @default.
- W2320264328 cites W2031109014 @default.
- W2320264328 cites W2035268834 @default.
- W2320264328 cites W2035994071 @default.
- W2320264328 cites W2036295636 @default.
- W2320264328 cites W2054880428 @default.
- W2320264328 cites W2059295495 @default.
- W2320264328 cites W2060481860 @default.
- W2320264328 cites W2072089896 @default.
- W2320264328 cites W2080788488 @default.
- W2320264328 cites W2087865210 @default.
- W2320264328 cites W2100788317 @default.
- W2320264328 cites W2131631516 @default.
- W2320264328 cites W2135865133 @default.
- W2320264328 cites W2143698572 @default.
- W2320264328 cites W2144122182 @default.
- W2320264328 cites W2150697053 @default.
- W2320264328 cites W2171644504 @default.
- W2320264328 cites W2320791033 @default.
- W2320264328 cites W2328348798 @default.
- W2320264328 cites W2328703143 @default.
- W2320264328 cites W2329644254 @default.
- W2320264328 cites W2329762854 @default.
- W2320264328 cites W2951104507 @default.
- W2320264328 cites W2951403764 @default.
- W2320264328 cites W2952285450 @default.
- W2320264328 cites W3022937218 @default.
- W2320264328 cites W4292404993 @default.
- W2320264328 doi "https://doi.org/10.1021/jp5024372" @default.
- W2320264328 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/24804900" @default.
- W2320264328 hasPublicationYear "2014" @default.
- W2320264328 type Work @default.
- W2320264328 sameAs 2320264328 @default.
- W2320264328 citedByCount "19" @default.
- W2320264328 countsByYear W23202643282015 @default.
- W2320264328 countsByYear W23202643282016 @default.
- W2320264328 countsByYear W23202643282017 @default.
- W2320264328 countsByYear W23202643282018 @default.
- W2320264328 countsByYear W23202643282019 @default.
- W2320264328 countsByYear W23202643282020 @default.
- W2320264328 countsByYear W23202643282021 @default.
- W2320264328 countsByYear W23202643282022 @default.
- W2320264328 countsByYear W23202643282023 @default.
- W2320264328 crossrefType "journal-article" @default.
- W2320264328 hasAuthorship W2320264328A5064590331 @default.
- W2320264328 hasAuthorship W2320264328A5081652794 @default.
- W2320264328 hasAuthorship W2320264328A5084813525 @default.
- W2320264328 hasAuthorship W2320264328A5089470982 @default.
- W2320264328 hasConcept C102931765 @default.
- W2320264328 hasConcept C121332964 @default.
- W2320264328 hasConcept C139066938 @default.
- W2320264328 hasConcept C142724271 @default.
- W2320264328 hasConcept C145148216 @default.
- W2320264328 hasConcept C147597530 @default.
- W2320264328 hasConcept C147789679 @default.
- W2320264328 hasConcept C148898269 @default.
- W2320264328 hasConcept C155647269 @default.
- W2320264328 hasConcept C160434732 @default.
- W2320264328 hasConcept C161790260 @default.
- W2320264328 hasConcept C175689099 @default.
- W2320264328 hasConcept C178790620 @default.
- W2320264328 hasConcept C185592680 @default.
- W2320264328 hasConcept C204787440 @default.
- W2320264328 hasConcept C2776910235 @default.
- W2320264328 hasConcept C2779485729 @default.
- W2320264328 hasConcept C30095370 @default.
- W2320264328 hasConcept C3044715 @default.
- W2320264328 hasConcept C62396407 @default.
- W2320264328 hasConcept C62520636 @default.
- W2320264328 hasConcept C71924100 @default.
- W2320264328 hasConcept C75473681 @default.
- W2320264328 hasConcept C93391505 @default.
- W2320264328 hasConceptScore W2320264328C102931765 @default.
- W2320264328 hasConceptScore W2320264328C121332964 @default.
- W2320264328 hasConceptScore W2320264328C139066938 @default.