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


Journal Article

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). © 1987, American Chemical Society. All rights reserved.

Full Text

Duke Authors

Cited Authors

  • Hartzell, CJ; Whitfield, M; Oas, TG; Drobny, GP

Published Date

  • September 1, 1987

Published In

Volume / Issue

  • 109 / 20

Start / End Page

  • 5966 - 5969

Electronic International Standard Serial Number (EISSN)

  • 1520-5126

International Standard Serial Number (ISSN)

  • 0002-7863

Digital Object Identifier (DOI)

  • 10.1021/ja00254a012

Citation Source

  • Scopus