FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2038484043> ?p ?o ?g. }

• W2038484043 endingPage "2269" @default.
• W2038484043 startingPage "2261" @default.
• W2038484043 abstract "Geminal substitution of H by D in first-row molecules generally causes upfield shifts in the proton magnetic resonance. These isotope shifts are sometimes explained in terms of intramolecular electrostatic effects. This work shows that they can also be considered as being due to the changes in bond rehybridization accompanying small changes in molecular geometry upon isotopic substitution. The diamagnetic part of the magnetic shielding at the protons in NH3, CH4, and CH3D was evaluated as a function of HNH or HCH bond angle using localized equivalent orbitals constructed from Slater atomic orbitals. The treatment for CH3D differed from that for CH4 in that the shorter experimental CH bond distance was used. The results of the calculation showed that the magnetic shielding at the proton in a NH or CH bond increased with decreasing bond angle, and with a decrease in bond distance. For small changes in geometry, similar to what is experimentally found upon isotopic substitution, the calculated change in shielding was the same order of magnitude as that experimentally observed. Consideration of isotope shift data on first-row molecules reveals that the magnitude of the shift is also a function of the initial molecular geometry, being larger for molecules with smaller HXH bond angles (X=C, O, N) and H–H internuclear distances. Isotope shifts were measured for CH2Cl2, CH2Br2, and CH2I2. Upon monodeuteration the proton magnetic resonance shifted upfield by 0.0125±0.0003, 0.0137±0.0002, and 0.0135±0.0002 ppm, respectively. The measured JHD spin—spin coupling constants were also measured for these molecules and found to be in agreement with previous work." @default.
• W2038484043 created "2016-06-24" @default.
• W2038484043 creator A5068544383 @default.
• W2038484043 creator A5085190040 @default.
• W2038484043 date "1966-09-15" @default.
• W2038484043 modified "2023-09-26" @default.
• W2038484043 title "<i>Geminal</i> Isotope Effects on the Proton Magnetic Resonance of Some First‐Row Molecules" @default.
• W2038484043 cites W1968037081 @default.
• W2038484043 cites W1977175352 @default.
• W2038484043 cites W1980348209 @default.
• W2038484043 cites W1981225341 @default.
• W2038484043 cites W1983629226 @default.
• W2038484043 cites W1989818941 @default.
• W2038484043 cites W1996518261 @default.
• W2038484043 cites W2005495859 @default.
• W2038484043 cites W2008432255 @default.
• W2038484043 cites W2012130053 @default.
• W2038484043 cites W2013745648 @default.
• W2038484043 cites W2023785012 @default.
• W2038484043 cites W2031399409 @default.
• W2038484043 cites W2032238023 @default.
• W2038484043 cites W2049373641 @default.
• W2038484043 cites W2060501150 @default.
• W2038484043 cites W2062693285 @default.
• W2038484043 cites W2065717284 @default.
• W2038484043 cites W2068803669 @default.
• W2038484043 cites W2074864831 @default.
• W2038484043 cites W2076080734 @default.
• W2038484043 cites W2077678993 @default.
• W2038484043 cites W2078036363 @default.
• W2038484043 cites W2084549057 @default.
• W2038484043 cites W2084572286 @default.
• W2038484043 cites W2089621215 @default.
• W2038484043 cites W2104730763 @default.
• W2038484043 cites W2104910480 @default.
• W2038484043 cites W2125522232 @default.
• W2038484043 cites W2249081660 @default.
• W2038484043 doi "https://doi.org/10.1063/1.1727920" @default.
• W2038484043 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/5975750" @default.
• W2038484043 hasPublicationYear "1966" @default.
• W2038484043 type Work @default.
• W2038484043 sameAs 2038484043 @default.
• W2038484043 citedByCount "24" @default.
• W2038484043 countsByYear W20384840432014 @default.
• W2038484043 countsByYear W20384840432019 @default.
• W2038484043 crossrefType "journal-article" @default.
• W2038484043 hasAuthorship W2038484043A5068544383 @default.
• W2038484043 hasAuthorship W2038484043A5085190040 @default.
• W2038484043 hasConcept C111429119 @default.
• W2038484043 hasConcept C115260700 @default.
• W2038484043 hasConcept C121332964 @default.
• W2038484043 hasConcept C124600460 @default.
• W2038484043 hasConcept C139358910 @default.
• W2038484043 hasConcept C147597530 @default.
• W2038484043 hasConcept C147789679 @default.
• W2038484043 hasConcept C155860418 @default.
• W2038484043 hasConcept C178790620 @default.
• W2038484043 hasConcept C184779094 @default.
• W2038484043 hasConcept C185544564 @default.
• W2038484043 hasConcept C185592680 @default.
• W2038484043 hasConcept C193547582 @default.
• W2038484043 hasConcept C2779758233 @default.
• W2038484043 hasConcept C32909587 @default.
• W2038484043 hasConcept C46141821 @default.
• W2038484043 hasConcept C54516573 @default.
• W2038484043 hasConcept C58364064 @default.
• W2038484043 hasConcept C62520636 @default.
• W2038484043 hasConcept C69928629 @default.
• W2038484043 hasConcept C71240020 @default.
• W2038484043 hasConcept C75079739 @default.
• W2038484043 hasConcept C96026104 @default.
• W2038484043 hasConceptScore W2038484043C111429119 @default.
• W2038484043 hasConceptScore W2038484043C115260700 @default.
• W2038484043 hasConceptScore W2038484043C121332964 @default.
• W2038484043 hasConceptScore W2038484043C124600460 @default.
• W2038484043 hasConceptScore W2038484043C139358910 @default.
• W2038484043 hasConceptScore W2038484043C147597530 @default.
• W2038484043 hasConceptScore W2038484043C147789679 @default.
• W2038484043 hasConceptScore W2038484043C155860418 @default.
• W2038484043 hasConceptScore W2038484043C178790620 @default.
• W2038484043 hasConceptScore W2038484043C184779094 @default.
• W2038484043 hasConceptScore W2038484043C185544564 @default.
• W2038484043 hasConceptScore W2038484043C185592680 @default.
• W2038484043 hasConceptScore W2038484043C193547582 @default.
• W2038484043 hasConceptScore W2038484043C2779758233 @default.
• W2038484043 hasConceptScore W2038484043C32909587 @default.
• W2038484043 hasConceptScore W2038484043C46141821 @default.
• W2038484043 hasConceptScore W2038484043C54516573 @default.
• W2038484043 hasConceptScore W2038484043C58364064 @default.
• W2038484043 hasConceptScore W2038484043C62520636 @default.
• W2038484043 hasConceptScore W2038484043C69928629 @default.
• W2038484043 hasConceptScore W2038484043C71240020 @default.
• W2038484043 hasConceptScore W2038484043C75079739 @default.
• W2038484043 hasConceptScore W2038484043C96026104 @default.
• W2038484043 hasIssue "6" @default.
• W2038484043 hasLocation W20384840431 @default.
• W2038484043 hasLocation W20384840432 @default.
• W2038484043 hasOpenAccess W2038484043 @default.

• next