Multinuclear NMR study of zinc dicyanide

Zeitschrift fur Physikalische Chemie

Volumn 226, Issue 11-12, 2012, Pages 1205-1218

  Werner Zwanziger, Ulrike ^a   Chapman, Karena W ^b   Zwanziger, Josef W ^a  

^a DALHOUSIE UNIVERSITY   (Canada)

^b ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

Multinuclear NMR spectroscopy; Negative thermal expansion materials

Indexed keywords

CALCULATIONS; DISTRIBUTION FUNCTIONS; EXPANSION; NEGATIVE THERMAL EXPANSION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; THERMAL EXPANSION; ZINC; ZINC COMPOUNDS; ZINC METALLOGRAPHY;

CARBON AND NITROGEN; DIPOLE COUPLING; FIRST-PRINCIPLES CALCULATION; MULTINUCLEAR NMR; MULTINUCLEAR NMR SPECTROSCOPY; NEGATIVE THERMAL EXPANSION MATERIAL; PAIR DISTRIBUTION FUNCTION ANALYSIS; TEMPERATURE-INDUCED;

BOND LENGTH;

EID: 84871802110     PISSN: 09429352     EISSN: None     Source Type: Journal    
DOI: 10.1524/zpch.2012.0285     Document Type: Article

References (28)

1. A. L. Goodwin and C. J. Kepert, Phys. Rev. B 71 (2005) 140301.
2. A. W. Sleight, Ann. Rev. Mat. Sci. 28 (1998) 29.
3. B. K. Greve, K. L. Martin, P. L. Lee, P. J. Chupas, K.W. Chapman, and A. P.Wilkinson, J. Am. Chem. Soc. 132 (2010) 15496.
4. D. J.Williams, D. E. Partin, F. J. Lincoln, J. Kouvetakis, and M. O'Keeffe, J. Sol. State. Chem. 134 (1997) 164.
5. K. W. Chapman, P. J. Chupas, and C. J. Kepert, J. Am. Chem. Soc. 127 (2005) 15630.
6. B. F. Hoskins and R. Robson, J. Am. Chem. Soc. 112 (1990) 1546.
7. K. W. Chapman, M. Hagen, C. J. Kepert, and P. Manuel, Physica B 385-386 (2006) 60.
8. K. W. Chapman and P. J. Chupas, J. Am. Chem. Soc. 129 (2007) 10090.
9. J. W. Zwanziger, Phys. Rev. B 76 (2007) 052102.
10. D. L. Bryce and R. E. Wasylishen, Inorg. Chem. 41 (2002) 4131.
11. S. Kroeker, R. E. Wasylishen, and J. V. Hanna, J. Am. Chem. Soc. 121 (1999) 1582.
12. G. Wu, S. Kroeker, and R. E. Wasylishen, Inorg. Chem. 34 (1995) 1595.
13. K. J. D. Mackenzie and M. E. Smith, Multinuclear Solid-State NMR of Inorganic Materials, Pergamon Materials Series, R. W. Cahn (Ed.), Elsevier Science Ltd, Oxford (2002).
14. F. H. Larsen, H. J. Jakobsen, P. D. Ellis, and N. C. Nielsen, J. Phys. Chem. A 101 (1997) 8597.
15. D. Massiot, F. Fayon, M. Capron, I. King, S. Le Calv́e, B. Alonso, J. O. Durand, B. Bujoli, Z. Gan, and G. Hoatson, Magn. Reson. Chem. 40 (2002) 70.
16. M. Bak, J. T. Rasmussen, and N. C. Nielsen, J. Magn. Reson. 147 (2000) 296.
17. P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G. L. Chiarotti, M. Cococcioni, I. Dabo, A. Dal Corso, S. de Gironcoli, S. Fabris, G. Fratesi, R. Gebauer, U. Gerstmann, C. Gougoussis, A. Kokalj, M. Lazzeri, L. Martin-Samos, N. Marzari, F. Mauri, R. Mazzarello, S. Paolini, A. Pasquarello, L. Paulatto, C. Sbraccia, S. Scandolo, G. Sclauzero, A. P. Seitsonen, A. Smogunov, P. Umari, and R. M. Wentzcovitch, J. Phys. Condens. Matter 21 (2009) 395502.
18. C. J. Pickard and F. Mauri, Phys. Rev. B 63 (2001) doi:10.1103/PhysRevB. 63.245101.
19. J. R. Yates, C. J. Pickard, and F. Mauri, Phys. Rev. B 76 (2007) 024401.
20. M. Profeta, F. Mauri, and C. J. Pickard, J. Am. Chem. Soc. 125 (2003) 541.
21. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77 (1996) 3865.
22. P. Pyykkö, Mol. Phys. 106 (2008) 1965.
23. S. Sham and G. Wu, Zinc-67 NMR study of tetrahedral and octahedral zinc sites with symmetrical oxygen, nitrogen, and sulfur ligands. Can. J. Chem. 77 (1999) 1782.
24. K. H. Mroué and W. P. Power, J. Phys. Chem. A 114 (2009) 324.
25. R. Ida and G. Wu, J. Phys. Chem. A 106 (2002) 11234.
26. F. H. Larsen, A. S. Lipton, H. J. Jakobsen, N. C. Nielsen, and P. D. Ellis, J. Am. Chem. Soc. 121 (1999) 3783.
27. F. Mauri, B. G. Pfrommer, and S. G. Louie, Ab initio nmr chemical shift of diamond, chemical-vapor-deposited diamond, and amorphous carbon. Phys. Rev. Lett. 79 (1997) 2340.
28. G. Jeschke, W. Hoffbauer, and M. Jansen, Sol. St. NMR 12 (1998) 1.