FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2085707623> ?p ?o ?g. }

• W2085707623 endingPage "482" @default.
• W2085707623 startingPage "473" @default.
• W2085707623 abstract "The kinetics of the C6H5 reactions with CH3OH and C2H5OH has been measured by pulsed-laser photolysis/mass-spectrometry (PLP/MS) employing acetophenone as the radical source. Kinetic modeling of the benzene formed in the reactions over the temperature range 306–771 K allows us to reliably determine the total rate constants for H-abstraction reactions. In order to improve our low temperature measurements down to 304 K we have also applied the cavity ring-down spectrometric technique using nitrosobenzene as the radical source. Both sets of data agree closely. A weighted least-squares analysis of the two complementary sets of data for the two reactions gave the total rate constants k(CH3OH) = (7.82 ± 0.44) × 1011 exp [−(853 ± 30)/T] and k(C2H5OH) = (5.73 ± 0.58) × 1011 exp [−(1103 ± 44)/T] cm3 mol−1 s−1 for the temperature range studied. Theoretically, four possible product channels of the C6H5 + CH3OH reaction producing C6H6 + CH3O, C6H6 + CH2OH, C6H5OH + CH3 and C6H5OCH3 + H and five possible product channels of the C6H5 + C2H5OH reaction producing C6H6 + C2H5O, C6H6 + CH2CH2OH, C6H6 + CH3CHOH, C6H5OH + CH3CH2 and C6H5OCH2CH3 + H have been computed at the G2M//B3LYP/6−311+G(d, p) level of theory. The hydrogen abstraction channels were predicted to have lower energy barriers than those for the substitution reactions and their rate constants were calculated by the microcanonical variational transition state theory at 200–3000 K. The predicted rate constants are in good agreement with the experimental values. Significantly, the rate constant for the CH3OH reaction with C6H5 was found to be greater than that for the C2H5OH reaction and both reactions were found computationally to be dominated by H-abstraction from the hydroxyl group attributable to the affinity of the phenyl toward the OH group and the predicted lower energy barriers for the OH attack." @default.
• W2085707623 created "2016-06-24" @default.
• W2085707623 creator A5011722221 @default.
• W2085707623 creator A5045586496 @default.
• W2085707623 creator A5068932864 @default.
• W2085707623 creator A5069545555 @default.
• W2085707623 date "2013-01-01" @default.
• W2085707623 modified "2023-10-18" @default.
• W2085707623 title "Kinetics for the reactions of phenyl with methanol and ethanol: Comparison of theory and experiment" @default.
• W2085707623 cites W16813242 @default.
• W2085707623 cites W1976112421 @default.
• W2085707623 cites W1987515575 @default.
• W2085707623 cites W1995938712 @default.
• W2085707623 cites W1997290455 @default.
• W2085707623 cites W2010108349 @default.
• W2085707623 cites W2019861815 @default.
• W2085707623 cites W2022301006 @default.
• W2085707623 cites W2023271753 @default.
• W2085707623 cites W2031480132 @default.
• W2085707623 cites W2036894437 @default.
• W2085707623 cites W2038690902 @default.
• W2085707623 cites W2048559292 @default.
• W2085707623 cites W2053903936 @default.
• W2085707623 cites W2055309068 @default.
• W2085707623 cites W2056680345 @default.
• W2085707623 cites W2058032264 @default.
• W2085707623 cites W2071303578 @default.
• W2085707623 cites W2078086290 @default.
• W2085707623 cites W2080614849 @default.
• W2085707623 cites W2095175581 @default.
• W2085707623 cites W2101017339 @default.
• W2085707623 cites W2133522908 @default.
• W2085707623 cites W2143981217 @default.
• W2085707623 cites W2500798670 @default.
• W2085707623 cites W4233105584 @default.
• W2085707623 cites W4238196539 @default.
• W2085707623 cites W4240060025 @default.
• W2085707623 cites W51518673 @default.
• W2085707623 doi "https://doi.org/10.1016/j.proci.2012.05.043" @default.
• W2085707623 hasPublicationYear "2013" @default.
• W2085707623 type Work @default.
• W2085707623 sameAs 2085707623 @default.
• W2085707623 citedByCount "11" @default.
• W2085707623 countsByYear W20857076232014 @default.
• W2085707623 countsByYear W20857076232015 @default.
• W2085707623 countsByYear W20857076232018 @default.
• W2085707623 countsByYear W20857076232019 @default.
• W2085707623 countsByYear W20857076232020 @default.
• W2085707623 countsByYear W20857076232022 @default.
• W2085707623 countsByYear W20857076232023 @default.
• W2085707623 crossrefType "journal-article" @default.
• W2085707623 hasAuthorship W2085707623A5011722221 @default.
• W2085707623 hasAuthorship W2085707623A5045586496 @default.
• W2085707623 hasAuthorship W2085707623A5068932864 @default.
• W2085707623 hasAuthorship W2085707623A5069545555 @default.
• W2085707623 hasConcept C113196181 @default.
• W2085707623 hasConcept C121332964 @default.
• W2085707623 hasConcept C135889238 @default.
• W2085707623 hasConcept C147597530 @default.
• W2085707623 hasConcept C147789679 @default.
• W2085707623 hasConcept C148898269 @default.
• W2085707623 hasConcept C161790260 @default.
• W2085707623 hasConcept C178790620 @default.
• W2085707623 hasConcept C185592680 @default.
• W2085707623 hasConcept C2775888733 @default.
• W2085707623 hasConcept C2777691172 @default.
• W2085707623 hasConcept C2778478478 @default.
• W2085707623 hasConcept C2779607525 @default.
• W2085707623 hasConcept C39353612 @default.
• W2085707623 hasConcept C512968161 @default.
• W2085707623 hasConcept C57476982 @default.
• W2085707623 hasConcept C62520636 @default.
• W2085707623 hasConcept C81022585 @default.
• W2085707623 hasConcept C93391505 @default.
• W2085707623 hasConcept C97355855 @default.
• W2085707623 hasConceptScore W2085707623C113196181 @default.
• W2085707623 hasConceptScore W2085707623C121332964 @default.
• W2085707623 hasConceptScore W2085707623C135889238 @default.
• W2085707623 hasConceptScore W2085707623C147597530 @default.
• W2085707623 hasConceptScore W2085707623C147789679 @default.
• W2085707623 hasConceptScore W2085707623C148898269 @default.
• W2085707623 hasConceptScore W2085707623C161790260 @default.
• W2085707623 hasConceptScore W2085707623C178790620 @default.
• W2085707623 hasConceptScore W2085707623C185592680 @default.
• W2085707623 hasConceptScore W2085707623C2775888733 @default.
• W2085707623 hasConceptScore W2085707623C2777691172 @default.
• W2085707623 hasConceptScore W2085707623C2778478478 @default.
• W2085707623 hasConceptScore W2085707623C2779607525 @default.
• W2085707623 hasConceptScore W2085707623C39353612 @default.
• W2085707623 hasConceptScore W2085707623C512968161 @default.
• W2085707623 hasConceptScore W2085707623C57476982 @default.
• W2085707623 hasConceptScore W2085707623C62520636 @default.
• W2085707623 hasConceptScore W2085707623C81022585 @default.
• W2085707623 hasConceptScore W2085707623C93391505 @default.
• W2085707623 hasConceptScore W2085707623C97355855 @default.
• W2085707623 hasIssue "1" @default.
• W2085707623 hasLocation W20857076231 @default.
• W2085707623 hasOpenAccess W2085707623 @default.

• next