Unprecedented concentration dependent chemical shift variation in 1H- NMR studies: A caveat in the investigations of molecular recognition and structure elucidation

Tetrahedron

Volumn 54, Issue 51, 1998, Pages 15489-15498

  Mitra, Abhijit ^a   Seaton, Pamela J ^b   Assarpour, R Ali ^a   Williamson, Thomas ^b  

^a Division of Natural Sciences   (United States)

^b UNIVERSITY OF NORTH CAROLINA WILMINGTON   (United States)

Author keywords

Acridine; Benzofuran; Indole; NMR; Quinoline

Indexed keywords

ACRIDINE; AROMATIC COMPOUND; BENZOFURAN DERIVATIVE; INDOLE; QUINOLINE; SOLVENT;

ARTICLE; CHEMICAL STRUCTURE; HYDROGEN BOND; MOLECULAR RECOGNITION; PRIORITY JOURNAL; PROTON NUCLEAR MAGNETIC RESONANCE;

EID: 0032542116     PISSN: 00404020     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0040-4020(98)01015-1     Document Type: Article

References (40)

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16. 1H NMR signals of identical hydrogens in different solvents has also been observed: Corio, P.L.; Dailey, B.P. J. Chem. Phys. 1956, 25, 1291. Temperature dependent chemical shift changes of exchangeable H bonded -OH group have been noted earlier also: Drinkard, W.; Kivelson, D. J. Phys. Chem. 1958, 62, 1494-1498.
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30. 16. We are currently doing M.O. and molecular dynamics calculations to explore potential models to explain our observations and their implications. We are also doing NMR expts. to study the effect of orientation of the molecule at different concentrations on the chemical shift changes, as noted by the authors in reference 5(b).
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39. 1H-NMR spectra of various compounds were also measured at 90 MHz JEOL NMR Spectrometer at UNCW, NC, and 500 MHz, Bruker Avance-DRX NMR Spectrometer at the Department of Chemistry, Columbia University, NY.
40. 23. Partial support for this research was provided by the PEW consortium, NSF in the form of an instrument grant to AM (USE-9052233) and in the form of a research grant to PS (CHE-9408755).