Matches in SemOpenAlex for { <https://semopenalex.org/work/W2061874338> ?p ?o ?g. }
- W2061874338 endingPage "19" @default.
- W2061874338 startingPage "14" @default.
- W2061874338 abstract "The FT-IR spectrum of 1-Naphthol isolated in an argon matrix is performed and compared to the infrared spectra calculated at the DFT (B3LYP)/6-31+G(d) level for cis-1-Naphthol and trans-1-Naphthol rotamers in order to clarify the existence of both rotamers in the standard temperature. Comparison of the computed and the experimental matrix spectra reveals the presence in 1-Naphthol argon matrices in the standard temperature of both cis and trans rotameric forms of 1-Naphthol, the last predominating. The relative stability of the trans-1-Naphthol rotamer has also been supported by a fit comparison between the difference of predicted total energy (ETC) of both rotamers of 0.00195 a.u. corresponding to 5.12 kJ mol(-1) and the variation of the standard free Gibbs energy of rotamerization (ΔGr°) of 5.06 kJ mol(-1). Almost all 51 active vibrational modes of 1-Naphthol have been assigned. The stretching vibration of the OH group (νOH) appears to be the unique vibrational mode distinguishing the cis-1-NpOH rotamer from the trans-1-NpOH rotamer in FT-IR spectrum." @default.
- W2061874338 created "2016-06-24" @default.
- W2061874338 creator A5010574799 @default.
- W2061874338 creator A5017505824 @default.
- W2061874338 creator A5081418446 @default.
- W2061874338 creator A5087975686 @default.
- W2061874338 date "2013-05-01" @default.
- W2061874338 modified "2023-09-27" @default.
- W2061874338 title "Matrix isolation FT-IR and theoretical DFT/B3LYP spectrum of 1-Naphthol" @default.
- W2061874338 cites W1557890366 @default.
- W2061874338 cites W1963616108 @default.
- W2061874338 cites W1973793580 @default.
- W2061874338 cites W1976817234 @default.
- W2061874338 cites W1979006740 @default.
- W2061874338 cites W1986086272 @default.
- W2061874338 cites W1989461676 @default.
- W2061874338 cites W1989873273 @default.
- W2061874338 cites W2002217184 @default.
- W2061874338 cites W2018830646 @default.
- W2061874338 cites W2030092313 @default.
- W2061874338 cites W2037068491 @default.
- W2061874338 cites W2040276311 @default.
- W2061874338 cites W2043044918 @default.
- W2061874338 cites W2052910040 @default.
- W2061874338 cites W2055639835 @default.
- W2061874338 cites W2063330426 @default.
- W2061874338 cites W2083205926 @default.
- W2061874338 cites W2089997373 @default.
- W2061874338 cites W2090544579 @default.
- W2061874338 cites W2095491033 @default.
- W2061874338 cites W2143981217 @default.
- W2061874338 cites W2952344990 @default.
- W2061874338 cites W4240383141 @default.
- W2061874338 doi "https://doi.org/10.1016/j.saa.2013.01.065" @default.
- W2061874338 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/23454709" @default.
- W2061874338 hasPublicationYear "2013" @default.
- W2061874338 type Work @default.
- W2061874338 sameAs 2061874338 @default.
- W2061874338 citedByCount "5" @default.
- W2061874338 countsByYear W20618743382014 @default.
- W2061874338 countsByYear W20618743382015 @default.
- W2061874338 countsByYear W20618743382020 @default.
- W2061874338 countsByYear W20618743382022 @default.
- W2061874338 crossrefType "journal-article" @default.
- W2061874338 hasAuthorship W2061874338A5010574799 @default.
- W2061874338 hasAuthorship W2061874338A5017505824 @default.
- W2061874338 hasAuthorship W2061874338A5081418446 @default.
- W2061874338 hasAuthorship W2061874338A5087975686 @default.
- W2061874338 hasConcept C106487976 @default.
- W2061874338 hasConcept C121332964 @default.
- W2061874338 hasConcept C146477669 @default.
- W2061874338 hasConcept C147597530 @default.
- W2061874338 hasConcept C153642686 @default.
- W2061874338 hasConcept C158355884 @default.
- W2061874338 hasConcept C178790620 @default.
- W2061874338 hasConcept C185592680 @default.
- W2061874338 hasConcept C18705241 @default.
- W2061874338 hasConcept C2777896788 @default.
- W2061874338 hasConcept C32909587 @default.
- W2061874338 hasConcept C43617362 @default.
- W2061874338 hasConcept C4839761 @default.
- W2061874338 hasConcept C547737533 @default.
- W2061874338 hasConcept C62520636 @default.
- W2061874338 hasConcept C8010536 @default.
- W2061874338 hasConcept C97355855 @default.
- W2061874338 hasConceptScore W2061874338C106487976 @default.
- W2061874338 hasConceptScore W2061874338C121332964 @default.
- W2061874338 hasConceptScore W2061874338C146477669 @default.
- W2061874338 hasConceptScore W2061874338C147597530 @default.
- W2061874338 hasConceptScore W2061874338C153642686 @default.
- W2061874338 hasConceptScore W2061874338C158355884 @default.
- W2061874338 hasConceptScore W2061874338C178790620 @default.
- W2061874338 hasConceptScore W2061874338C185592680 @default.
- W2061874338 hasConceptScore W2061874338C18705241 @default.
- W2061874338 hasConceptScore W2061874338C2777896788 @default.
- W2061874338 hasConceptScore W2061874338C32909587 @default.
- W2061874338 hasConceptScore W2061874338C43617362 @default.
- W2061874338 hasConceptScore W2061874338C4839761 @default.
- W2061874338 hasConceptScore W2061874338C547737533 @default.
- W2061874338 hasConceptScore W2061874338C62520636 @default.
- W2061874338 hasConceptScore W2061874338C8010536 @default.
- W2061874338 hasConceptScore W2061874338C97355855 @default.
- W2061874338 hasLocation W20618743381 @default.
- W2061874338 hasLocation W20618743382 @default.
- W2061874338 hasOpenAccess W2061874338 @default.
- W2061874338 hasPrimaryLocation W20618743381 @default.
- W2061874338 hasRelatedWork W1968352773 @default.
- W2061874338 hasRelatedWork W2000632922 @default.
- W2061874338 hasRelatedWork W2024174213 @default.
- W2061874338 hasRelatedWork W2028368664 @default.
- W2061874338 hasRelatedWork W2034594190 @default.
- W2061874338 hasRelatedWork W2066385684 @default.
- W2061874338 hasRelatedWork W2069820409 @default.
- W2061874338 hasRelatedWork W2071621563 @default.
- W2061874338 hasRelatedWork W2087842270 @default.
- W2061874338 hasRelatedWork W2952084207 @default.
- W2061874338 hasVolume "108" @default.
- W2061874338 isParatext "false" @default.