Determination of the 15N and 13C Chemical Shift Tensors of L-[13C]Alanyl-L-[15N]alanine from the Dipole-Coupled Powder Patterns

C. J. Hartzell, M. Whitfield, T. G. Oas, G. P. Drobny

Research output: Contribution to journalArticle

165 Scopus citations

Abstract

The13C and15N chemical shift tensors of L-[l-13C]alanyl-L-[15N]alanine have been determined from the dipole-coupled powder patterns and verified with the decoupled spectra. The principal values of the13C tensor are σ11= -115.5, σ22= -42.3, and 0–33= 33.5 ppm, and the polar angles relating the13C-15N bond to the chemical shift tensor are β = 90° and a = -39.5°. Although the13C powder pattern widths of Ala Ala and AcGlyAlaNH2differ by only 2%, the anisotropy and asymmetry parameters differ by 10 and 25%, respectively. The principal values for the15N chemical shift tensor are σ11= 65.3,σ22= 78.1, and σ33= 215.5 ppm, and the orientation of the13C-15N bond to the σ33axis is 106°. AlaAla and AcGlyAlaNH2show a striking difference in asymmetry parameters (0.06 vs. 0.16) and anisotropy (144 vs. 165).

Original languageEnglish (US)
Pages (from-to)5966-5969
Number of pages4
JournalJournal of the American Chemical Society
Volume109
Issue number20
DOIs
StatePublished - Sep 1 1987
Externally publishedYes

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

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