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13C Chemical-shift tensors in an analogous series of heterosubstituted polycyclic aromatic compounds

Publication ,  Journal Article
Barich, DH; Facelli, JC; Hu, JZ; Alderman, DW; Wang, W; Pugmire, RJ; Grant, DM
Published in: Magnetic Resonance in Chemistry
January 1, 2001

The 13C principal values of the chemical-shift tensor for fluorene, carbazole, dibenzofuran and dibenzothiophene were determined with the FIREMAT and PHORMAT experiments. Theoretical calculations (DFT) of the tensors were used as an aid to spectral assignment of the tensors, particularly in some positions in which the isotropic chemical shifts were accidentally degenerate. The principal values are discussed in terms of the effects of the heterosubstitutions. Copyright © 2001 John Wiley & Sons, Ltd.

Duke Scholars

Published In

Magnetic Resonance in Chemistry

DOI

ISSN

0749-1581

Publication Date

January 1, 2001

Volume

39

Issue

3

Start / End Page

115 / 121

Related Subject Headings

  • Physical Chemistry
  • 3406 Physical chemistry
  • 0306 Physical Chemistry (incl. Structural)
  • 0304 Medicinal and Biomolecular Chemistry
 

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Barich, D. H., Facelli, J. C., Hu, J. Z., Alderman, D. W., Wang, W., Pugmire, R. J., & Grant, D. M. (2001). 13C Chemical-shift tensors in an analogous series of heterosubstituted polycyclic aromatic compounds. Magnetic Resonance in Chemistry, 39(3), 115–121. https://doi.org/10.1002/mrc.804
Barich, D. H., J. C. Facelli, J. Z. Hu, D. W. Alderman, W. Wang, R. J. Pugmire, and D. M. Grant. “13C Chemical-shift tensors in an analogous series of heterosubstituted polycyclic aromatic compounds.” Magnetic Resonance in Chemistry 39, no. 3 (January 1, 2001): 115–21. https://doi.org/10.1002/mrc.804.
Barich DH, Facelli JC, Hu JZ, Alderman DW, Wang W, Pugmire RJ, et al. 13C Chemical-shift tensors in an analogous series of heterosubstituted polycyclic aromatic compounds. Magnetic Resonance in Chemistry. 2001 Jan 1;39(3):115–21.
Barich, D. H., et al. “13C Chemical-shift tensors in an analogous series of heterosubstituted polycyclic aromatic compounds.” Magnetic Resonance in Chemistry, vol. 39, no. 3, Jan. 2001, pp. 115–21. Scopus, doi:10.1002/mrc.804.
Barich DH, Facelli JC, Hu JZ, Alderman DW, Wang W, Pugmire RJ, Grant DM. 13C Chemical-shift tensors in an analogous series of heterosubstituted polycyclic aromatic compounds. Magnetic Resonance in Chemistry. 2001 Jan 1;39(3):115–121.
Journal cover image

Published In

Magnetic Resonance in Chemistry

DOI

ISSN

0749-1581

Publication Date

January 1, 2001

Volume

39

Issue

3

Start / End Page

115 / 121

Related Subject Headings

  • Physical Chemistry
  • 3406 Physical chemistry
  • 0306 Physical Chemistry (incl. Structural)
  • 0304 Medicinal and Biomolecular Chemistry