FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2023181631> ?p ?o ?g. }

• W2023181631 endingPage "309" @default.
• W2023181631 startingPage "301" @default.
• W2023181631 abstract "A complete conformational analysis of the azo-enol, oxo-azo, and hydrazo forms of 3-phenylazo-2,4-pentanedione (PAPD), a β-dicarbonyl compound, was carried out by ab initio calculations, at the density functional theory (DFT) level. In addition to nine stable azo-enol conformers, three hydrazo and two oxo-azo were also obtained. The considerably higher energy of the oxo-azo and azo-enol compared to that of the most stable hydrazo conformer makes the presence of oxo-azo and azo-enol form, at least in the gas phase, unlikely. Harmonic vibrational frequencies of this stable hydrazo form and its deuterated analog were also calculated and compared with the experimental data. According to the theoretical calculations, the intramolecularly hydrogen bonded proton in the most stable tautomer moves in an asymmetric double minimum potential with a hydrogen bond stronger than that of 4-amino-3-penten-2-one (APO). The calculated O· · ·N distance for the most stable conformer of PAPD is about 0.07–0.08 Ǻ shorter than that of APO." @default.
• W2023181631 created "2016-06-24" @default.
• W2023181631 creator A5039816495 @default.
• W2023181631 creator A5063313167 @default.
• W2023181631 creator A5078573469 @default.
• W2023181631 creator A5083017319 @default.
• W2023181631 creator A5085159972 @default.
• W2023181631 date "2009-02-01" @default.
• W2023181631 modified "2023-09-26" @default.
• W2023181631 title "Conformational analysis, tautomerization, IR, Raman, and NMR studies of 3-phenylazo-2,4-pentanedione" @default.
• W2023181631 cites W1969669800 @default.
• W2023181631 cites W1973902342 @default.
• W2023181631 cites W1982315927 @default.
• W2023181631 cites W1985895021 @default.
• W2023181631 cites W1999225355 @default.
• W2023181631 cites W2000085583 @default.
• W2023181631 cites W2003808001 @default.
• W2023181631 cites W2016584020 @default.
• W2023181631 cites W2018308730 @default.
• W2023181631 cites W2023271753 @default.
• W2023181631 cites W2035637688 @default.
• W2023181631 cites W2039162544 @default.
• W2023181631 cites W2042724235 @default.
• W2023181631 cites W2046762171 @default.
• W2023181631 cites W2057358944 @default.
• W2023181631 cites W2060153452 @default.
• W2023181631 cites W2061066838 @default.
• W2023181631 cites W2063661958 @default.
• W2023181631 cites W2064858073 @default.
• W2023181631 cites W2129579634 @default.
• W2023181631 cites W2142393107 @default.
• W2023181631 cites W2143981217 @default.
• W2023181631 cites W2148080533 @default.
• W2023181631 cites W2157566315 @default.
• W2023181631 cites W2950963347 @default.
• W2023181631 cites W3045905984 @default.
• W2023181631 cites W4236756015 @default.
• W2023181631 doi "https://doi.org/10.1016/j.molstruc.2008.11.020" @default.
• W2023181631 hasPublicationYear "2009" @default.
• W2023181631 type Work @default.
• W2023181631 sameAs 2023181631 @default.
• W2023181631 citedByCount "12" @default.
• W2023181631 countsByYear W20231816312013 @default.
• W2023181631 countsByYear W20231816312015 @default.
• W2023181631 countsByYear W20231816312016 @default.
• W2023181631 countsByYear W20231816312019 @default.
• W2023181631 countsByYear W20231816312021 @default.
• W2023181631 countsByYear W20231816312022 @default.
• W2023181631 countsByYear W20231816312023 @default.
• W2023181631 crossrefType "journal-article" @default.
• W2023181631 hasAuthorship W2023181631A5039816495 @default.
• W2023181631 hasAuthorship W2023181631A5063313167 @default.
• W2023181631 hasAuthorship W2023181631A5078573469 @default.
• W2023181631 hasAuthorship W2023181631A5083017319 @default.
• W2023181631 hasAuthorship W2023181631A5085159972 @default.
• W2023181631 hasConcept C111233374 @default.
• W2023181631 hasConcept C112887158 @default.
• W2023181631 hasConcept C121332964 @default.
• W2023181631 hasConcept C147597530 @default.
• W2023181631 hasConcept C161790260 @default.
• W2023181631 hasConcept C178790620 @default.
• W2023181631 hasConcept C184779094 @default.
• W2023181631 hasConcept C185592680 @default.
• W2023181631 hasConcept C18705241 @default.
• W2023181631 hasConcept C2777495281 @default.
• W2023181631 hasConcept C2781442258 @default.
• W2023181631 hasConcept C32909587 @default.
• W2023181631 hasConcept C54516573 @default.
• W2023181631 hasConcept C58364064 @default.
• W2023181631 hasConcept C62520636 @default.
• W2023181631 hasConcept C71240020 @default.
• W2023181631 hasConcept C75473681 @default.
• W2023181631 hasConceptScore W2023181631C111233374 @default.
• W2023181631 hasConceptScore W2023181631C112887158 @default.
• W2023181631 hasConceptScore W2023181631C121332964 @default.
• W2023181631 hasConceptScore W2023181631C147597530 @default.
• W2023181631 hasConceptScore W2023181631C161790260 @default.
• W2023181631 hasConceptScore W2023181631C178790620 @default.
• W2023181631 hasConceptScore W2023181631C184779094 @default.
• W2023181631 hasConceptScore W2023181631C185592680 @default.
• W2023181631 hasConceptScore W2023181631C18705241 @default.
• W2023181631 hasConceptScore W2023181631C2777495281 @default.
• W2023181631 hasConceptScore W2023181631C2781442258 @default.
• W2023181631 hasConceptScore W2023181631C32909587 @default.
• W2023181631 hasConceptScore W2023181631C54516573 @default.
• W2023181631 hasConceptScore W2023181631C58364064 @default.
• W2023181631 hasConceptScore W2023181631C62520636 @default.
• W2023181631 hasConceptScore W2023181631C71240020 @default.
• W2023181631 hasConceptScore W2023181631C75473681 @default.
• W2023181631 hasIssue "1-3" @default.
• W2023181631 hasLocation W20231816311 @default.
• W2023181631 hasOpenAccess W2023181631 @default.
• W2023181631 hasPrimaryLocation W20231816311 @default.
• W2023181631 hasRelatedWork W1966980303 @default.
• W2023181631 hasRelatedWork W1985582972 @default.
• W2023181631 hasRelatedWork W2025994289 @default.
• W2023181631 hasRelatedWork W2052225430 @default.
• W2023181631 hasRelatedWork W2067296924 @default.

• next