13C CPMAS NMR and DFT calculations of anthocyanidins

Solid State Nuclear Magnetic Resonance

Volumn 34, Issue 1-2, 2008, Pages 44-51

  Wolniak, M ^a   Wawer, I ^a  

^a MEDICAL UNIVERSITY OF WARSAW   (Poland)

Author keywords

13C CPMAS NMR; Anthocyanidins; Chemical shift anisotropy; GIAO DFT calculations; Shielding constants; Solid state NMR

Indexed keywords

13C CPMAS NMR; ANTHOCYANIDINS; CHEMICAL SHIFT ANISOTROPY; GIAO-DFT CALCULATIONS; SHIELDING CONSTANTS; SOLID-STATE NMR;

ANTHOCYANIN; CARBON;

ARTICLE; CHEMISTRY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PIGMENTATION; QUANTUM THEORY;

ANTHOCYANINS; CARBON ISOTOPES; MAGNETIC RESONANCE SPECTROSCOPY; PIGMENTATION; QUANTUM THEORY;

EID: 51649103248     PISSN: 09262040     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssnmr.2008.06.003     Document Type: Article

References (28)

1. Kong J.-M., Chia L.-S., Goh N.-K., Chia T.-F., and Brouillard R. Phytochemistry 64 (2003) 923
2. Brouillard R., and Dubois J.E. J. Am. Chem. Soc. 99 (1977) 1359
3. Brouillard R., and Delaporte B. J. Am. Chem. Soc. 99 (1977) 8461
4. Brouillard R., Delaporte B., and Dubois J.E. J. Am. Chem. Soc. 100 (1978) 6202
5. Francais F. Crit. Rev. Food Sci. Nutr. 28 (1989) 273
6. Woodford J. Chem. Phys. Lett. 410 (2005) 182
7. Sakata K., Saito N., and Honda T. Tetrahedron 62 (2006) 3721
8. Olejniczak S., and Potrzebowski M.J. Organic Biomolecular Chem. 2 (2004) 1
9. Herzfeld J., and Berger A. J. Chem. Phys. 73 (1980) 6021
10. Jeschke G., and Grossmann G. J. Magn. Reson. 103 (1993) 323
11. Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., A. Robb M., Cheeseman J.R., Zakrzewski V.G., Montgomery Jr. J.A., Stratmann R.E., Burant J.C., Dapprich S., Millam J.M., Daniels A.D., Kudin K.N., Strain M.C., Farkas O., Tomasi J., Barone V., Cossi M., Cammi R., Mennucci B., Pomelli C., Adamo C., Clifford S., Ochterski J., Petersson G.A., Ayala P.Y., Cui Q., Morokuma K., Malick D.K., Rabuck A.D., Raghavachari K., Foresman J.B., Cioslowski J., Ortiz J.V., Baboul A.G., Stefanov B.B., Liu G., Liashenko A., Piskorz P., Komaromi I., Gomperts R., Martin R.L., Fox D.J., Keith T., Al-Laham M.A., Peng C.Y., Nanayakkara A., Gonzalez C., Challacombe M., Gill P.M.W., Johnson B., Chen W., Wong M.W., Andres J.L., Gonzalez C., Head-Gordon M., Replogle E.S., and Pople J.A. GAUSSIAN 03, Revision B.02 (2003), Gaussian Inc., Pittsburgh PA
12. Blanca F., Alkorta I., and Elguero J. Magn. Reson. Chem. 45 (2007) 797
13. Wawer I., and Zielińska A. Magn. Reson. Chem. 39 (2001) 374
14. Hong M. J. Am. Chem. Soc. 122 (2000) 3762
15. Gu Z.H., Zambrano R., and McDermontt A. J. Am. Chem. Soc. 116 (1994) 6368
16. Antzutkin O.N., Shakar S.C., and Levitt M.H. J. Magn. Reson. Ser. A 115 (1995) 7
17. Antzutkin O.N., Lee Y.K., and Levitt M.H. J. Magn. Reson. 135 (1998) 144
18. Torskangerpoll K., Borve K.J., Andersen O.M., and Saethre L.J. Spectrochim. Acta, Part A 55 (1999) 761
19. Pereira G.K., and Galembeck S.E. Spectrochim. Acta, Part A 54 (1998) 339
20. Busetta B., Colleter J.C., and Gadret M. Acta Crystallogr. B 30 (1974) 1448
21. Saito N., and Ueno K. Heterocycles 23 (1985) 2709
22. Ueno K., and Saito N. Acta Crystallogr. B 33 (1977) 114
23. Grant D.M. Chem. shifts tensor, Encyclopedia of NMR 4 (1996) 1298
24. M. Wolniak, B. Tarnawska-Kukawska, J. Bukowicki, I. Wawer, to be submitted.
25. Mehring M. High Resolution NMR Spectroscopy in Solids (1976), Springer, Berlin Chapt. 4.3
26. Kołodziejski W., and Klinowski J. Chem. Rev. 102 (2002) 613
27. Rondeau-Mouro C., Bouchet B., Pontoire B., Robert P., Mazoyer J., and Buleon A. Carbohydr. Polym. 53 (2003) 241
28. Wolniak M., Oszmiański J., and Wawer I. Magn. Reson. Chem. 46 (2008) 215