FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2089938959> ?p ?o ?g. }

• W2089938959 endingPage "1617" @default.
• W2089938959 startingPage "1608" @default.
• W2089938959 abstract "Abstract This paper describes the reaction pathways for hydrogenation of acetaldehyde on atomic hydrogen pre-adsorbed Au(111) employing density functional theory (DFT) calculations. All the surface species involved in the reaction scheme have low diffusion barriers, suggesting that the rearrangement and movement of these species on the surface are facile under reaction condition. The hydroxyethyl is proposed to be the intermediate for the hydrogenation of acetaldehyde, and the activation energy for its formation is 0.37 eV. Additionally, the coupling reaction of hydroxyethyl and acetaldehyde – resulting in the formation of the ethylidene ethylene glycol (CH3C⁎HOCH(CH3)OH) species – also readily occurs at the reaction condition. Two-dimensional (2-D) polyacetaldehyde ((CH3CHO)2) can be easily hydrogenated to ethylidene ethylene glycol or ethoxy hemiacetal (CH3CH2OCH(CH3)O⁎); the latter can be converted to ethanol and acetaldehyde via further hydrogenation. As the hydrogenation products of ethylidene ethylene glycol and ethoxy hemiacetal, ethoxyethanol (CH3CH2OCH(CH3)OH) can be deeply hydrogenated to hydroxyethyl and ethanol. Our calculations also suggest that the formation of an ethoxyl intermediate is not likely, which agrees with the experimental observation that no deuterated acetaldehydes have been detected in isotopic measurements." @default.
• W2089938959 created "2016-06-24" @default.
• W2089938959 creator A5027639058 @default.
• W2089938959 creator A5031071648 @default.
• W2089938959 creator A5043956105 @default.
• W2089938959 creator A5047030779 @default.
• W2089938959 creator A5065862046 @default.
• W2089938959 date "2012-11-01" @default.
• W2089938959 modified "2023-09-27" @default.
• W2089938959 title "Mechanistic understanding of hydrogenation of acetaldehyde on Au(111): A DFT investigation" @default.
• W2089938959 cites W1534723692 @default.
• W2089938959 cites W1654771876 @default.
• W2089938959 cites W180528424 @default.
• W2089938959 cites W1964015474 @default.
• W2089938959 cites W1965594205 @default.
• W2089938959 cites W1965921484 @default.
• W2089938959 cites W1975069149 @default.
• W2089938959 cites W1976784016 @default.
• W2089938959 cites W1976998467 @default.
• W2089938959 cites W1985788929 @default.
• W2089938959 cites W1986131771 @default.
• W2089938959 cites W1992277893 @default.
• W2089938959 cites W1992429586 @default.
• W2089938959 cites W1996047157 @default.
• W2089938959 cites W1999491826 @default.
• W2089938959 cites W2001934908 @default.
• W2089938959 cites W2007666961 @default.
• W2089938959 cites W2010779665 @default.
• W2089938959 cites W2011462063 @default.
• W2089938959 cites W2016632908 @default.
• W2089938959 cites W2016931212 @default.
• W2089938959 cites W2017713204 @default.
• W2089938959 cites W2018271913 @default.
• W2089938959 cites W2019713839 @default.
• W2089938959 cites W2020230781 @default.
• W2089938959 cites W2020699187 @default.
• W2089938959 cites W2021201905 @default.
• W2089938959 cites W2024999252 @default.
• W2089938959 cites W2035870795 @default.
• W2089938959 cites W2036113194 @default.
• W2089938959 cites W2036657210 @default.
• W2089938959 cites W2039948490 @default.
• W2089938959 cites W2040778113 @default.
• W2089938959 cites W2049079467 @default.
• W2089938959 cites W2052670608 @default.
• W2089938959 cites W2057163137 @default.
• W2089938959 cites W2061177454 @default.
• W2089938959 cites W2065048621 @default.
• W2089938959 cites W2065097273 @default.
• W2089938959 cites W2065961309 @default.
• W2089938959 cites W2066009011 @default.
• W2089938959 cites W2077698884 @default.
• W2089938959 cites W2080318537 @default.
• W2089938959 cites W2080704607 @default.
• W2089938959 cites W2081449883 @default.
• W2089938959 cites W2083222334 @default.
• W2089938959 cites W2087416082 @default.
• W2089938959 cites W2087585288 @default.
• W2089938959 cites W2088408886 @default.
• W2089938959 cites W2090663322 @default.
• W2089938959 cites W2092054828 @default.
• W2089938959 cites W2092125097 @default.
• W2089938959 cites W2094089419 @default.
• W2089938959 cites W2094278936 @default.
• W2089938959 cites W2104389971 @default.
• W2089938959 cites W2105421498 @default.
• W2089938959 cites W2109664124 @default.
• W2089938959 cites W2120446525 @default.
• W2089938959 cites W2120468444 @default.
• W2089938959 cites W2137177602 @default.
• W2089938959 cites W2150634381 @default.
• W2089938959 cites W2150929757 @default.
• W2089938959 cites W2160991776 @default.
• W2089938959 cites W2166125582 @default.
• W2089938959 cites W2166244948 @default.
• W2089938959 cites W2169726148 @default.
• W2089938959 cites W2316766356 @default.
• W2089938959 cites W2322918075 @default.
• W2089938959 cites W2331493598 @default.
• W2089938959 cites W2380548727 @default.
• W2089938959 cites W2952050926 @default.
• W2089938959 cites W4211044815 @default.
• W2089938959 cites W4244812103 @default.
• W2089938959 doi "https://doi.org/10.1016/j.susc.2012.06.014" @default.
• W2089938959 hasPublicationYear "2012" @default.
• W2089938959 type Work @default.
• W2089938959 sameAs 2089938959 @default.
• W2089938959 citedByCount "17" @default.
• W2089938959 countsByYear W20899389592014 @default.
• W2089938959 countsByYear W20899389592015 @default.
• W2089938959 countsByYear W20899389592016 @default.
• W2089938959 countsByYear W20899389592017 @default.
• W2089938959 countsByYear W20899389592018 @default.
• W2089938959 countsByYear W20899389592019 @default.
• W2089938959 countsByYear W20899389592020 @default.
• W2089938959 countsByYear W20899389592021 @default.
• W2089938959 crossrefType "journal-article" @default.
• W2089938959 hasAuthorship W2089938959A5027639058 @default.

• next