(Barely) solid Li(NH3)4: The electronics of an expanded metal

Journal of the American Chemical Society

Volumn 133, Issue 10, 2011, Pages 3535-3547

  Zurek, Eva ^a   Wen, Xiao Dong ^b   Hoffmann, Roald ^b  

^a UNIVERSITY AT BUFFALO   (United States)

^b Department of Obstetrics Gynecology   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

3D STRUCTURE; ANHYDROUS AMMONIA; CLOSE-IN; ELECTRIDES; ELECTRON DENSITIES; EXPANDED METALS; LOW MELTING POINT; MOLECULAR BUILDING BLOCKS; NARROW BANDS; PHASE II; PSEUDOATOMS; THEORETICAL STUDY; UNIT CELLS;

AMMONIA; BUILDING MATERIALS; CESIUM; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; MELTING POINT; PHASE TRANSITIONS;

LITHIUM;

AMMONIUM DERIVATIVE; LITHIUM DERIVATIVE; METAL; MONOMER;

ARTICLE; ATOM; CHEMICAL STRUCTURE; CONCENTRATION (PARAMETERS); DENSITY; ELECTRIC CONDUCTIVITY; ELECTRON; ELECTRONICS; MELTING POINT; PRESSURE; SOLID;

EID: 79952614044     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja109397k     Document Type: Article

References (56)

1. Zurek, E.; Edwards, P. P.; Hoffmann, R. Angew. Chem., Int. Ed. 2009, 48, 8198-8232
2. Joannis, M. A. C. R. Acad. Sci. 1889, 109, 900-902
3. Moissan, H. C. R. Acad. Sci. 1898, 127, 685-693
4. Mammano, N.; Sienko, M. J. J. Am. Chem. Soc. 1968, 90, 6322-6324
5. Glaunsinger, W. S.; Von Dreele, R. B.; Marzke, R. F.; Hanson, R. C.; Chieux, P.; Damay, P.; Catterall, R. J. Phys. Chem. 1984, 88, 3860-3877
6. Stacy, A. M.; Sienko, M. J. Inorg. Chem. 1982, 21, 2294-2297
7. Chieux, P.; Sienko, M. J.; DeBaecker, F. J. Phys. Chem. 1975, 79, 2996-3000
8. Young, V. G.; Glaunsinger, W. S.; Von Dreele, R. B. J. Am. Chem. Soc. 1989, 111, 9260-9261
9. Ibberson, R. M.; Fowkes, A. J.; Rosseinsky, M. J.; David, W. I. F.; Edwards, P. P. Angew. Chem., Int. Ed. 2009, 48, 1435-1438
10. White, T. R.; Hsu, S. P.; Mobley, M. J.; Glaunsinger, W. S. J. Phys. Chem. 1984, 88, 3890-3895
11. Stacy, A. M.; Johnson, D. C.; Sienko, M. J. J. Chem. Phys. 1982, 76, 4248-4254
12. Stacy, A. M.; Edwards, P. P.; Sienko, M. J. J. Solid State Chem. 1982, 45, 63-70
13. Lemaster, E. W.; Thompson, J. C. J. Solid State Chem. 1972, 4, 163-171
14. Martyna, G. J.; Klein, M. L. J. Phys. Chem. 1991, 95, 515-518
15. Kaplan, T. A.; Harrison, J. F.; Dye, J. L.; Rencsok, R. Phys. Rev. Lett. 1995, 75, 978
16. Mierzwicki, K.; Latajka, Z. Chem. Phys. 2001, 265, 301-311
17. Kohanoff, J.; Buda, F.; Parrinello, M.; Klein, M. L. Phys. Rev. Lett. 1994, 73, 3133-3136
18. Takemura, K.; Minomura, S.; Shimomura, O. Phys. Rev. Lett. 1982, 49, 1772-1775
19. Olijnyk, H.; Holzapfel, W. B. Phys. Lett. A 1983, 99, 381-383
20. Ma, Y.; Oganov, A. R.; Xie, Y. Phys. Rev. B 2008, 78 (014102) 1-5
21. Pickard, C. J.; Needs, R. J. Nature Phys. 2007, 3, 473-476
22. Chang, T. L.; Tung, L. H. Nature 1949, 163, 737
23. Wen, X. D.; Cahill, T. J.; Hoffmann, R. Chem.-Eur. J. 2010, 16, 6555-6566
24. Hanfland, M.; Syassen, K.; Christensen, N. E.; Novikov, D. L. Nature 2000, 408, 174-178
25. Dye, J. L. Science 2003, 301, 607-608
26. Dye, J. L. Inorg. Chem. 1997, 36, 3816-3826
27. Dye, J. L. Acc. Chem. Res. 2009, 42, 1564-1572
28. Matsuishi, S.; Toda, Y.; Miyakawa, M.; Hayashi, K.; Kamiya, T.; Hirano, M.; Tanaka, I.; Hosono, H. Science 2003, 301, 626-629
29. Neaton, J. B.; Ashcroft, N. W. Nature 1999, 400, 141-144
30. Pickard, C. J.; Needs, R. J. Phys. Rev. Lett. 2009, 102, 146401
31. Yao, Y.; Tse, J. S.; Klug, D. D. Phys. Rev. Lett. 2009, 102, 115503
32. Neaton, J. B.; Ashcroft, N. W. Phys. Rev. Lett. 2001, 86, 2830-2833
33. Ma, Y. M.; Eremets, M.; Oganov, A. R.; Xie, Y.; Trojan, I.; Medvedev, S.; Lyakhov, A. O.; Valle, M.; Prakapenka, V. Nature 2009, 458, 182-185
34. Sternheimer, R. Phys. Rev. 1950, 78, 235-243
35. Zurek, E.; Jepsen, O.; Andersen, O. K. ChemPhysChem 2005, 6, 1934-1942
36. Grochala, W.; Hoffmann, R.; Feng, J.; Ashcroft, N. W. Angew. Chem., Int. Ed. 2007, 46, 3620-3642
37. Pickard, C. J.; Needs, R. J. Nat. Mater. 2008, 7, 775-779
38. Böddeker, K. W.; Lang, G.; Schindewolf, U. In Metal-Ammonia Solutions, Colloque Weyl II; Ithaca, NY, 1969; Lagowski, J. J.; Sienko, M. J., Eds.; Butterworths: London, 1970; pp 219 - 227.
39. Jortner, J. J. Chem. Phys. 1959, 30, 839-846
40. Edwards, P. P.; Sienko, M. J. J. Am. Chem. Soc. 1981, 103, 2967-2971
41. Edwards, P. P.; Lodge, M. T. J.; Hensel, F.; Redmer, R. Philos. Trans. R. Soc., A 2010, 368, 941-965
42. Feng, J.; Hoffmann, R.; Ashcroft, N. W. J. Chem. Phys. 2010, 132 (114106) 1-12
43. Matsuoka, T.; Shimizu, K. Nature 2009, 458, 186-189
44. Feng, M.; Zhao, J.; Petek, H. Science 2008, 320, 359-362
45. Zhao, J.; Feng, M.; Yang, J.; Petek, H. ACSNano 2009, 3, 853-864
46. Bergeron, D. E.; Roach, P. J.; Castleman, A. W.; Jones, N. O.; Khanna, S. N. Science 2005, 307, 231-235
47. Neukermans, S.; Janssens, E.; Chen, Z. F.; Silverans, R. E.; Schleyer, P. v. R.; Lievens, P. Phys. Rev. Lett. 2004, 92 (163401) 1-4
48. Castleman, A. W.; Khanna, S. N. J. Phys. Chem. C 2009, 113, 2664-2675
49. Hoffmann, R. Solids and Surfaces: A Chemist's View of Bonding in Extended Structures; Wiley-VCH: New York, 1988.
50. Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865-3868
51. Kresse, G.; Hafner, J. Phys. Rev. B 1993, 47, 558-561
52. Kresse, G.; Furthmuller, J. Phys. Rev. B 1996, 54, 11169-11186
53. Blöchl, P. Phys. Rev. B 1994, 50, 17953
54. Kresse, G.; Joubert, D. Phys. Rev. B 1999, 59, 1758-1775
55. Banerjee, A.; Autschbach, J.; Chakrabarti, A. Phys. Rev. A 2008, 78, 032704-9
56. Autschbach, J.; Seth, M.; Ziegler, T. J. Chem. Phys. 2007, 126, 174103-5