Matches in SemOpenAlex for { <https://semopenalex.org/work/W2017310406> ?p ?o ?g. }
Showing items 1 to 99 of
99
with 100 items per page.
- W2017310406 endingPage "5163" @default.
- W2017310406 startingPage "5157" @default.
- W2017310406 abstract "Reaction profiles and energetics for the reactions of substituted benzaldehydes with a series of different simple metal hydrides (BH3, BMeH2, BMe2H, AlH3, and AlMe2H) are examined computationally. B3LYP/6-31G* optimizations and MP2/6-311G* single point energy calculations revealed that the Al reagents are more reactive than B reagents. Replacement of H with Me on BH3 or AlH3 makes the reduction transition state (TS) less stable. Accordingly the overall reactivity is in the order AlH3 > AlMe2H > BH3 > BMe2H. The Hammett ρ value for substituted benzaldehydes (BAs) is negative for the initial complex formation and positive for the hydride-transfer step. The size and the sign of the apparent ρ value depend on the relative stabilities of the separated reactants and the complex. The TS structures vary according to the Hammond postulate for substituted BAs and the variation is reflected in carbonyl-carbon and aldehyde-deuterium isotope effects. Comparison of the reaction profiles of the monomer and dimer reagents reveals that the real reacting species is the monomer in the gas phase for BH3 but the dimer for BMe2H." @default.
- W2017310406 created "2016-06-24" @default.
- W2017310406 creator A5015614778 @default.
- W2017310406 creator A5058852999 @default.
- W2017310406 creator A5080957061 @default.
- W2017310406 creator A5086078467 @default.
- W2017310406 date "2005-05-24" @default.
- W2017310406 modified "2023-09-27" @default.
- W2017310406 title "Reaction Profiles and Substituent Effects for the Reduction of Carbonyl Compounds with Monomer and Dimer Simple Metal Hydride Reagents" @default.
- W2017310406 cites W1975708211 @default.
- W2017310406 cites W1980579381 @default.
- W2017310406 cites W1984194820 @default.
- W2017310406 cites W1986869433 @default.
- W2017310406 cites W2002631670 @default.
- W2017310406 cites W2012625411 @default.
- W2017310406 cites W2013766735 @default.
- W2017310406 cites W2033990154 @default.
- W2017310406 cites W2034355388 @default.
- W2017310406 cites W2040367396 @default.
- W2017310406 cites W2054930916 @default.
- W2017310406 cites W2078139280 @default.
- W2017310406 cites W2131640937 @default.
- W2017310406 cites W2143981217 @default.
- W2017310406 cites W2159136044 @default.
- W2017310406 cites W2951407121 @default.
- W2017310406 doi "https://doi.org/10.1021/jo050435a" @default.
- W2017310406 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/15960519" @default.
- W2017310406 hasPublicationYear "2005" @default.
- W2017310406 type Work @default.
- W2017310406 sameAs 2017310406 @default.
- W2017310406 citedByCount "17" @default.
- W2017310406 countsByYear W20173104062013 @default.
- W2017310406 countsByYear W20173104062014 @default.
- W2017310406 countsByYear W20173104062018 @default.
- W2017310406 countsByYear W20173104062021 @default.
- W2017310406 countsByYear W20173104062022 @default.
- W2017310406 crossrefType "journal-article" @default.
- W2017310406 hasAuthorship W2017310406A5015614778 @default.
- W2017310406 hasAuthorship W2017310406A5058852999 @default.
- W2017310406 hasAuthorship W2017310406A5080957061 @default.
- W2017310406 hasAuthorship W2017310406A5086078467 @default.
- W2017310406 hasConcept C142724271 @default.
- W2017310406 hasConcept C155647269 @default.
- W2017310406 hasConcept C161790260 @default.
- W2017310406 hasConcept C165176872 @default.
- W2017310406 hasConcept C166940927 @default.
- W2017310406 hasConcept C178790620 @default.
- W2017310406 hasConcept C185592680 @default.
- W2017310406 hasConcept C204787440 @default.
- W2017310406 hasConcept C2776910235 @default.
- W2017310406 hasConcept C2777961443 @default.
- W2017310406 hasConcept C2778689049 @default.
- W2017310406 hasConcept C2779546866 @default.
- W2017310406 hasConcept C2779825165 @default.
- W2017310406 hasConcept C40875361 @default.
- W2017310406 hasConcept C521977710 @default.
- W2017310406 hasConcept C544153396 @default.
- W2017310406 hasConcept C71924100 @default.
- W2017310406 hasConcept C75473681 @default.
- W2017310406 hasConceptScore W2017310406C142724271 @default.
- W2017310406 hasConceptScore W2017310406C155647269 @default.
- W2017310406 hasConceptScore W2017310406C161790260 @default.
- W2017310406 hasConceptScore W2017310406C165176872 @default.
- W2017310406 hasConceptScore W2017310406C166940927 @default.
- W2017310406 hasConceptScore W2017310406C178790620 @default.
- W2017310406 hasConceptScore W2017310406C185592680 @default.
- W2017310406 hasConceptScore W2017310406C204787440 @default.
- W2017310406 hasConceptScore W2017310406C2776910235 @default.
- W2017310406 hasConceptScore W2017310406C2777961443 @default.
- W2017310406 hasConceptScore W2017310406C2778689049 @default.
- W2017310406 hasConceptScore W2017310406C2779546866 @default.
- W2017310406 hasConceptScore W2017310406C2779825165 @default.
- W2017310406 hasConceptScore W2017310406C40875361 @default.
- W2017310406 hasConceptScore W2017310406C521977710 @default.
- W2017310406 hasConceptScore W2017310406C544153396 @default.
- W2017310406 hasConceptScore W2017310406C71924100 @default.
- W2017310406 hasConceptScore W2017310406C75473681 @default.
- W2017310406 hasIssue "13" @default.
- W2017310406 hasLocation W20173104061 @default.
- W2017310406 hasLocation W20173104062 @default.
- W2017310406 hasOpenAccess W2017310406 @default.
- W2017310406 hasPrimaryLocation W20173104061 @default.
- W2017310406 hasRelatedWork W2003688997 @default.
- W2017310406 hasRelatedWork W2070364592 @default.
- W2017310406 hasRelatedWork W2594918493 @default.
- W2017310406 hasRelatedWork W2949786759 @default.
- W2017310406 hasRelatedWork W2950297900 @default.
- W2017310406 hasRelatedWork W2952003004 @default.
- W2017310406 hasRelatedWork W2952556931 @default.
- W2017310406 hasRelatedWork W4239222468 @default.
- W2017310406 hasRelatedWork W4375861679 @default.
- W2017310406 hasRelatedWork W2346750330 @default.
- W2017310406 hasVolume "70" @default.
- W2017310406 isParatext "false" @default.
- W2017310406 isRetracted "false" @default.
- W2017310406 magId "2017310406" @default.
- W2017310406 workType "article" @default.