FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2009366382> ?p ?o ?g. }

• W2009366382 endingPage "1487" @default.
• W2009366382 startingPage "1478" @default.
• W2009366382 abstract "The 1 H nuclear magnetic resonance spectra of phenylallene, diluted in acetone-d 6 and benzene-d 6 , yield long-range coupling constants over as many as eight formal bonds between the ring and side-chain protons. These are discussed in terms of σ- and π-electron spin–spin coupling mechanisms, which are sensitive to the torsion angle between the allenyl and phenyl fragments. The torsion angle is assessed by means of molecular orbital computations of the internal rotational potential, whose height is calculated as 16.0 kJ/mol at the MP2/6-31G* level of correlation-gradient theory. Comparison with experimental and theoretical internal rotational potentials for styrene suggests that steric repulsions in the planar form of styrene amount to about 4 kJ/mol. In a field of 7.0 T, phenylallene is partially aligned, entailing a positive dipolar coupling constant between the methylene protons, from which absolute signs of the spin–spin coupling constants involving these protons can be inferred. Such coupling constants over seven and eight bonds, to the meta and para protons, are taken as being mediated by the extended π-electron system, providing a measure of π-electron contributions to coupling constants between meta protons and those in side chains (spin correlation). Some coupling constants between protons and 13 C nuclei in the side chain, as well as between ring protons and these 13 C nuclei, are also discussed in terms of spin coupling mechanisms. Solvent perturbations of one-bond proton–carbon coupling constants in the allenyl group do not follow the usual pattern in which an increase in polarity of the solvent is associated with an increase in the magnitude of the coupling constant. Keywords: 1 H NMR, phenylallene; 1 H NMR, long-range spin–spin coupling constants in phenylallene; phenylallene, internal rotational potential, molecular orbital computations; molecular orbital calculations, an internal rotational potential in phenylallene." @default.
• W2009366382 created "2016-06-24" @default.
• W2009366382 creator A5014487148 @default.
• W2009366382 creator A5067964006 @default.
• W2009366382 creator A5069576292 @default.
• W2009366382 date "1995-09-01" @default.
• W2009366382 modified "2023-09-25" @default.
• W2009366382 title "1H and 13C nuclear magnetic resonance and molecular orbital studies of the internal rotational potential and of spin–spin coupling transmission in phenylallene" @default.
• W2009366382 cites W1455805462 @default.
• W2009366382 cites W1516530682 @default.
• W2009366382 cites W1973090421 @default.
• W2009366382 cites W1974746591 @default.
• W2009366382 cites W1978115827 @default.
• W2009366382 cites W1979024535 @default.
• W2009366382 cites W1981030756 @default.
• W2009366382 cites W1982174279 @default.
• W2009366382 cites W1982407551 @default.
• W2009366382 cites W1997893284 @default.
• W2009366382 cites W2001995494 @default.
• W2009366382 cites W2002339883 @default.
• W2009366382 cites W2004758934 @default.
• W2009366382 cites W2006279403 @default.
• W2009366382 cites W2007936321 @default.
• W2009366382 cites W2008159468 @default.
• W2009366382 cites W2013687115 @default.
• W2009366382 cites W2013758997 @default.
• W2009366382 cites W2016428866 @default.
• W2009366382 cites W2018449626 @default.
• W2009366382 cites W2018767268 @default.
• W2009366382 cites W2021611016 @default.
• W2009366382 cites W2036354092 @default.
• W2009366382 cites W2038632415 @default.
• W2009366382 cites W2041035621 @default.
• W2009366382 cites W2043344200 @default.
• W2009366382 cites W2043950465 @default.
• W2009366382 cites W2044888465 @default.
• W2009366382 cites W2047452476 @default.
• W2009366382 cites W2051971869 @default.
• W2009366382 cites W2056511111 @default.
• W2009366382 cites W2060318148 @default.
• W2009366382 cites W2068575533 @default.
• W2009366382 cites W2071164559 @default.
• W2009366382 cites W2077973224 @default.
• W2009366382 cites W2080128247 @default.
• W2009366382 cites W2083051638 @default.
• W2009366382 cites W2083901111 @default.
• W2009366382 cites W2125634809 @default.
• W2009366382 cites W2150442620 @default.
• W2009366382 cites W2157726250 @default.
• W2009366382 cites W2180722009 @default.
• W2009366382 cites W2320202320 @default.
• W2009366382 cites W2326888502 @default.
• W2009366382 cites W2333048156 @default.
• W2009366382 cites W2949281668 @default.
• W2009366382 cites W2953260208 @default.
• W2009366382 cites W3005320090 @default.
• W2009366382 cites W4239781016 @default.
• W2009366382 doi "https://doi.org/10.1139/v95-183" @default.
• W2009366382 hasPublicationYear "1995" @default.
• W2009366382 type Work @default.
• W2009366382 sameAs 2009366382 @default.
• W2009366382 citedByCount "3" @default.
• W2009366382 crossrefType "journal-article" @default.
• W2009366382 hasAuthorship W2009366382A5014487148 @default.
• W2009366382 hasAuthorship W2009366382A5067964006 @default.
• W2009366382 hasAuthorship W2009366382A5069576292 @default.
• W2009366382 hasConcept C109214941 @default.
• W2009366382 hasConcept C121332964 @default.
• W2009366382 hasConcept C139358910 @default.
• W2009366382 hasConcept C178790620 @default.
• W2009366382 hasConcept C183276030 @default.
• W2009366382 hasConcept C184779094 @default.
• W2009366382 hasConcept C185592680 @default.
• W2009366382 hasConcept C32909587 @default.
• W2009366382 hasConcept C41999313 @default.
• W2009366382 hasConcept C42704618 @default.
• W2009366382 hasConcept C46141821 @default.
• W2009366382 hasConcept C54516573 @default.
• W2009366382 hasConcept C62520636 @default.
• W2009366382 hasConcept C97355855 @default.
• W2009366382 hasConceptScore W2009366382C109214941 @default.
• W2009366382 hasConceptScore W2009366382C121332964 @default.
• W2009366382 hasConceptScore W2009366382C139358910 @default.
• W2009366382 hasConceptScore W2009366382C178790620 @default.
• W2009366382 hasConceptScore W2009366382C183276030 @default.
• W2009366382 hasConceptScore W2009366382C184779094 @default.
• W2009366382 hasConceptScore W2009366382C185592680 @default.
• W2009366382 hasConceptScore W2009366382C32909587 @default.
• W2009366382 hasConceptScore W2009366382C41999313 @default.
• W2009366382 hasConceptScore W2009366382C42704618 @default.
• W2009366382 hasConceptScore W2009366382C46141821 @default.
• W2009366382 hasConceptScore W2009366382C54516573 @default.
• W2009366382 hasConceptScore W2009366382C62520636 @default.
• W2009366382 hasConceptScore W2009366382C97355855 @default.
• W2009366382 hasIssue "9" @default.
• W2009366382 hasLocation W20093663821 @default.
• W2009366382 hasOpenAccess W2009366382 @default.
• W2009366382 hasPrimaryLocation W20093663821 @default.

• next