Low temperature 13C NMR magnetic resonance in solids 4. Cyclopropane, bicyclo[1.1.0]butane and [1.1.1] propellane
Publication
, Journal Article
Orendt, AM; Facelli, JC; Grant, DM; Michl, J; Walker, FH; Dailey, WP; Waddell, ST; Wiberg, KB; Schindler, M; Kutzelnigg, W
Published in: Theoretica Chimica Acta
December 1, 1985
The solid state 13C NMR spectra of bicyclo[1.1.0]butane and [1.1.1]propellane have been measured at low temperature. The orientation of the principal axes of the chemical shielding tensor have been determined with ab initio calculations based on the IGLO (Individual Gauge for Localized Orbitals) method when they are not determined by symmetry. Excellent agreement is obtained between the calculated and experimental principal values of the shielding tensor when basis sets containing polarization functions are used. In most cases the agreement is such that the calculated values are within the experimental error. © 1985 Springer-Verlag.
Duke Scholars
Published In
Theoretica Chimica Acta
DOI
EISSN
1432-2234
ISSN
0040-5744
Publication Date
December 1, 1985
Volume
68
Issue
6
Start / End Page
421 / 430
Citation
APA
Chicago
ICMJE
MLA
NLM
Orendt, A. M., Facelli, J. C., Grant, D. M., Michl, J., Walker, F. H., Dailey, W. P., … Kutzelnigg, W. (1985). Low temperature 13C NMR magnetic resonance in solids 4. Cyclopropane, bicyclo[1.1.0]butane and [1.1.1] propellane. Theoretica Chimica Acta, 68(6), 421–430. https://doi.org/10.1007/BF00527667
Orendt, A. M., J. C. Facelli, D. M. Grant, J. Michl, F. H. Walker, W. P. Dailey, S. T. Waddell, K. B. Wiberg, M. Schindler, and W. Kutzelnigg. “Low temperature 13C NMR magnetic resonance in solids 4. Cyclopropane, bicyclo[1.1.0]butane and [1.1.1] propellane.” Theoretica Chimica Acta 68, no. 6 (December 1, 1985): 421–30. https://doi.org/10.1007/BF00527667.
Orendt AM, Facelli JC, Grant DM, Michl J, Walker FH, Dailey WP, et al. Low temperature 13C NMR magnetic resonance in solids 4. Cyclopropane, bicyclo[1.1.0]butane and [1.1.1] propellane. Theoretica Chimica Acta. 1985 Dec 1;68(6):421–30.
Orendt, A. M., et al. “Low temperature 13C NMR magnetic resonance in solids 4. Cyclopropane, bicyclo[1.1.0]butane and [1.1.1] propellane.” Theoretica Chimica Acta, vol. 68, no. 6, Dec. 1985, pp. 421–30. Scopus, doi:10.1007/BF00527667.
Orendt AM, Facelli JC, Grant DM, Michl J, Walker FH, Dailey WP, Waddell ST, Wiberg KB, Schindler M, Kutzelnigg W. Low temperature 13C NMR magnetic resonance in solids 4. Cyclopropane, bicyclo[1.1.0]butane and [1.1.1] propellane. Theoretica Chimica Acta. 1985 Dec 1;68(6):421–430.
Published In
Theoretica Chimica Acta
DOI
EISSN
1432-2234
ISSN
0040-5744
Publication Date
December 1, 1985
Volume
68
Issue
6
Start / End Page
421 / 430