Probing crystal packing of uniformly 13C-enriched powder samples using homonuclear dipolar coupling measurements

Solid State Nuclear Magnetic Resonance

Volumn 65, Issue , 2015, Pages 114-121

  Mollica, Giulia ^a   Dekhil, Myriam ^a   Ziarelli, Fabio ^a   Thureau, Pierre ^a   Viel, Stéphane ^a  

^a AIX MARSEILLE UNIVERSITY   (France)

Author keywords

Crystal structure determination; Internuclear distances; NMR crystallography; Solid state NMR; Space group; Spin network

Indexed keywords

AMINO ACIDS; COST FUNCTIONS; COUPLINGS; MAGIC ANGLE SPINNING; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

CRYSTAL STRUCTURE DETERMINATION; INTERNUCLEAR DISTANCES; NMR CRYSTALLOGRAPHY; SOLID STATE NMR; SPACE GROUPS; SPIN NETWORKS;

CRYSTAL STRUCTURE;

ALANINE; CARBON; HISTIDINE; HYDROCHLORIC ACID; POWDER; WATER;

CHEMISTRY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; POWDER; PROCEDURES; X RAY CRYSTALLOGRAPHY;

ALANINE; CARBON ISOTOPES; CRYSTALLOGRAPHY, X-RAY; HISTIDINE; HYDROCHLORIC ACID; MAGNETIC RESONANCE SPECTROSCOPY; POWDERS; WATER;

EID: 84924595574     PISSN: 09262040     EISSN: 15273326     Source Type: Journal    
DOI: 10.1016/j.ssnmr.2014.12.003     Document Type: Article

References (41)

1. L. Mafra, S.M. Santos, R. Siegel, I. Alves, F.A. Almeida Paz, D. Dudenko, and H.W. Spiess J. Am. Chem. Soc. 134 2012 71 74
2. B. Bouchevreau, C. Martineau, C. Mellot-Draznieks, A. Tuel, M.R. Suchomel, J. Trébosc, O. Lafon, J.-P. Amoureux, and F. Taulelle Chem. Mater. 25 2013 2227 2242
3. M. Baias, J.-N. Dumez, P.H. Svensson, S. Schantz, G.M. Day, and L. Emsley J. Am. Chem. Soc. 135 2013 17501 17507
4. D.H. Brouwer, S. Cadars, J. Eckert, Z. Liu, O. Terasaki, and B.F. Chmelka J. Am. Chem. Soc. 135 2013 5641 5655
5. S. Sneddon, D.M. Dawson, C.J. Pickard, and S.E. Ashbrook Phys. Chem. Chem. Phys. 16 2014 2660 2673
6. B.E.G. Lucier, K.E. Johnston, W. Xu, J.C. Hanson, S.D. Senanayake, S. Yao, M.W. Bourassa, M. Srebro, J. Autschbach, and R.W. Schurko J. Am. Chem. Soc. 136 2014 1333 1351
7. C. Martineau, J. Senker, and F. Taulelle Chapter one - NMR crystallography G.A. Webb, Annual Reports on NMR Spectroscopy vol. 82 2014 Academic Press London 1 57
8. J.K. Yates, and C.J. Pickard Computation of magnetic resonance parameters for crystalline systems: principles R.K. Harris, R.E. Wasylishen, M.J. Duer, NMR Crystallography 2009 John Wiley & Sons, Ltd Chichester 29 40 (Chapter 3)
9. T.C. Charpentier Solid State Nucl. Magn. Reson. 40 2011 1 20
10. C. Bonhomme, C. Gervais, F. Babonneau, C. Coelho, F. Pourpoint, T. Azaïs, S.E. Ashbrook, J.M. Griffin, J.R. Yates, F. Mauri, and C.J. Pickard Chem. Rev. 112 2012 5733 5779
11. M.R. Chierotti, and R. Gobetto CrystEngComm 15 2013 8599 8612
12. T. Gullion, and J. Schaefer J. Magn. Reson. 81 1 1989 196 200
13. D.A. Middleton, X. Peng, D. Saunders, K. Shankland, W.I.F. David, and A.J. Markvardsen Chem. Commun. 2002 1976 1977
14. X. Lu, J. Trebosc, O. Lafon, and J.-P. Amoureux CrystEngComm 15 2013 8713 8726
15. B. Elena, and L. Emsley J. Am. Chem. Soc. 127 25 2005 9140 9146
16. V. Ladizhansky Solid State Nucl. Magn. Reson. 36 2009 119 128
17. G. De Paëpe Annu. Rev. Phys. Chem. 63 2012 661 684
18. K. Saalwächter ChemPhysChem 14 2013 3000 3014
19. A. Lange, K. Seidel, L. Verdier, S. Luca, and M. Baldus J. Am. Chem. Soc. 125 41 2003 12640 12648
20. B. Elena, G. Pintacuda, N. Mifsud, and L. Emsley J. Am. Chem. Soc. 128 2006 9555 9560
21. E. Salager, R.S. Stein, C.J. Pickard, B. Elena, and L. Emsley Phys. Chem. Chem. Phys. 11 2009 2610 2621
22. J.-N. Dumez, M.C. Butler, E. Salager, B. Elena-Herrmann, and L. Emsley Phys. Chem. Chem. Phys. 12 2010 9172 9175
23. G. Pileio, S. Mamone, G. Mollica, I.M. Montesinos, A. Gansmüller, M. Carravetta, S.P. Brown, and M.H. Levitt Chem. Phys. Lett. 456 2008 116 121
24. P. Thureau, A.C. Sauerwein, M. Concistrè, and M.H. Levitt Phys. Chem. Chem. Phys. 13 2011 93 96
25. J. Becker-Baldus, T.F. Kemp, J. Past, A. Reinhold, A. Samoson, and S.P. Brown Phys. Chem. Chem. Phys. 13 2011 4514 4518
26. G. Mollica, P.K. Madhu, F. Ziarelli, A. Thevand, P. Thureau, and S. Viel Phys. Chem. Chem. Phys. 14 2012 4359 4364
27. K.D. Harris, and M. Xu Combined analysis of NMR & powder diffraction data R.K. Harris, R.E. Wasylishen, M.J. Duer, NMR Crystallography 2009 John Wiley & Sons, Ltd Chichester 275 287 (Chapter 19)
28. F. Taulelle Solid State Sci. 6 10 2004 1053 1057
29. J.P. Bradley, S.P. Velaga, O.N. Antzutkin, and S.P. Brown Cryst. Growth Des. 11 2011 3463 3471
30. D.H. Brouwer Solid State Nucl. Magn. Reson. 51-52 2013 37 45
31. G. Pileio, Y. Guo, T. Pham, J. Griffin, M.H. Levitt, and S.P. Brown J. Am. Chem. Soc. 129 2007 10972 10973
32. P. Thureau, G. Mollica, F. Ziarelli, and S. Viel J. Magn. Reson. 231 2013 90 94
33. R.S. Thakur, N.D. Kurur, and P.K. Madhu Chem. Phys. Lett. 426 2006 459 463
34. C.C. Wilson, D. Myles, M. Ghosh, L.N. Johnson, and W. Wang New J. Chem. 29 2005 1318 1322
35. H. Fuess, D. Hohlwein, and S.A. Mason Acta Cryst. B 33 3 1977 654 659
36. URL 〈 http://www.ccdc.cam.ac.uk/products/csd/statistics/ 〉, 2014.
37. C. Filip, S. Hafner, I. Schnell, D.E. Demco, and H.W. Spiess J. Chem. Phys. 110 1 1999 423
38. V.E. Zorin, S.P. Brown, and P. Hodgkinson J. Chem. Phys. 125 2006 144508
39. V.E. Zorin, S.P. Brown, and P. Hodgkinson Mol. Phys. 104 2006 293
40. S. Kirkpatrick, C.D. Gelatt, and M.P. Vecchi Science 220 1983 671 680
41. J.T.A. Jones, T. Hasell, X. Wu, J. Bacsa, K.E. Jelfs, M. Schmidtmann, S.Y. Chong, D.J. Adams, A. Trewin, F. Schiffman, F. Cora, B. Slater, A. Steiner, G.M. Day, and A.I. Cooper Nature 474 2011 367 371