Structural characterization of phosphorus-based networks and clusters: 31P MAS NMR spectroscopy and magnetic shielding calculations on Hittorf's phosphorus

Chemistry - A European Journal

Volumn 17, Issue 31, 2011, Pages 8739-8748

  Wiegand, Thomas ^a   Eckert, Hellmut ^a   Grimme, Stefan ^a   Hoppe, Diana ^b,c   Ruck, Michael ^b  

^a UNIVERSITY OF MÜNSTER   (Germany)

^b DRESDEN UNIVERSITY OF TECHNOLOGY   (Germany)

^c MAX PLANCK INSTITUTE   (Germany)

Author keywords

density functional calculations; Hittorf's phosphorus; magnetic shielding; NMR spectroscopy; phosphorus

Indexed keywords

CALCULATIONS; CHEMICAL SHIFT; DENSITY FUNCTIONAL THEORY; MAGNETIC SHIELDING; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PHOSPHORUS; QUANTUM CHEMISTRY;

CHEMICAL-SHIFT DISPERSION; COORDINATION ENVIRONMENT; CORRELATION SPECTROSCOPY; QUANTUM CHEMICAL APPROACH; SHIELDING CALCULATION; STRUCTURAL CHARACTERIZATION; STRUCTURAL ELUCIDATION; TRANSVERSE MAGNETIZATION;

BOND LENGTH;

EID: 79960543873     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201003560     Document Type: Article

References (58)

1. A. Oppenheim, in Allgemeine Deutsche Biographie 3, Duncker & Humblot, Leipzig, 1876, p. 236.
2. M. Ruck, D. Hoppe, B. Wahl, P. Simon, Y. Wang, G. Seifert, Angew. Chem. 2005, 117, 7788
3. Angew. Chem. Int. Ed. 2005, 44, 7616.
4. H. Thurn, H. Krebs, Acta Crystallogr. Sect. B 1969, 25, 125
5. H. Thurn, H. Krebs, Angew. Chem. 1966, 78, 1101
6. Angew. Chem. Int. Ed. Engl. 1966, 5, 1047.
7. S. Böcker, M. Häser, Z. Anorg. Allg. Chem. 1995, 621, 258.
8. A. Pfitzner, S. Reiser, T. Nilges, Angew. Chem. 2000, 112, 4328
9. Angew. Chem. Int. Ed. 2000, 39, 4160
10. G. Brunklaus, J. C. C. Chan, H. Eckert, S. Reiser, T. Nilges, A. Pfitzner, Phys. Chem. Chem. Phys. 2003, 5, 3768
11. A. Pfitzner, Chem. Eur. J. 2000, 6, 1891
12. S. Reiser, G. Brunklaus, J. H. Hong, J. C. C. Chan, H. Eckert, A. Pfitzner, Chem. Eur. J. 2002, 8, 4228
13. S. Reiser, T. Nilges, A. Pfitzner, Z. Anorg. Allg. Chem. 2003, 629, 563
14. D. Hoppe, M. Ruck, Z. Anorg. Allg. Chem. 2004, 630, 1728.
15. A. Pfitzner, M. F. Bräu, J. Zweck, G. Brunklaus, H. Eckert, Angew. Chem. 2004, 116, 4324
16. Angew. Chem. Int. Ed. 2004, 43, 4228.
17. C.-M. Park, H.-J. Sohn, Adv. Mater. 2007, 19, 2465
18. T. Nilges, M. Kersting, T. Pfeifer, J. Solid State Chem. 2008, 181, 1707.
19. E. Freudenthaler, A. Pfitzner, Solid State Ionics 1997, 101-103, 1053.
20. D. E. C. Corbridge, The Structural Chemistry of Phosphorus, Elsevier, Amsterdam, 1974
21. H. G. v. Schnering, W. Hönle, Encyclopedia of Inorganic Chemistry (Ed.:, R. B. King,), Wiley, New York, 1994
22. H. G. Von Schnering, W. Hönle, Chem. Rev. 1988, 88, 243
23. A. Pfitzner, Angew. Chem. 2006, 118, 714
24. Angew. Chem. Int. Ed. 2006, 45, 699
25. F. Dielmann, M. Sierka, A. Virovets, M. Scheer, Angew. Chem. Int. Ed. 2010, 49, 6860.
26. B. Jayasekera, S. L. Brock, A. Y. H. Lo, R. W. Schurko, G.-A. Nazri, Chem. Eur. J. 2005, 11, 3762
27. V. Derstroff, W. Tremel, G. Regelsky, J. Schmedt Auf Der Günne, H. Eckert, Solid State Sci. 2002, 4, 731
28. J. Schmedt auf der Günne, H. Eckert, Chem. Eur. J. 1998, 4, 1762
29. J. Schmedt auf der Günne, S. Kaczmarek, L. v. Wüllen, H. Eckert, D. Paschke, A. J. Foecker, W. Jeitschko, J. Solid State Chem. 1999, 147, 341.
30. M. Scheer, L. J. Gregoriades, M. Zabel, M. Sierka, L. Zhang, H. Eckert, Eur. J. Inorg. Chem. 2007, 2775
31. K. Eichele, R. E. Wasylishen, J. F. Corrigan, N. J. Taylor, A. J. Carty, K. W. Feindel, G. M. Bernard, J. Am. Chem. Soc. 2002, 124, 1541.
32. A. J. Carty, C. A. Fyfe, M. Lettinga, S. Johnson, L. H. Randall, Inorg. Chem. 1989, 28, 4120.
33. G. Brunklaus, J. C. C. Chan, H. Eckert, Z. Phys. Chem. (Muenchen Ger.) 2003, 217, 1627
34. J. C. C. Chan, G. Brunklaus, Chem. Phys. Lett. 2001, 349, 104.
35. A. E. Bennett, C. M. Rienstra, J. M. Griffiths, W. Zhen, P. T. Lansbury, Jr., R. G. Griffin, J. Chem. Phys. 1998, 108, 9463
36. A. E. Bennett, J. H. Ok, R. G. Griffin, S. Vega, J. Chem. Phys. 1992, 96, 8624.
37. Calculation of NMR and EPR Parameters (Eds.:, M. Kaupp, M. Bühl, V. G. Malkin,), Wiley-VCH, Weinheim, 2004.
38. M. Di Vaira, M. Peruzzini, S. S. Constantini, P. Stoppioni, J. Organomet. Chem. 2006, 691, 3931.
39. S. Lange, P. Schmidt, T. Nilges, Inorg. Chem. 2007, 46, 4028.
40. F. Weigend, R. Ahlrichs, Phys. Chem. Chem. Phys. 2005, 7, 3297.
41. A. D. Becke, Phys. Rev. A 1988, 38, 3098
42. J. P. Perdew, Phys. Rev. B 1986, 33, 8822.
43. A. Schäfer, C. Huber, R. Ahlrichs, J. Chem. Phys. 1994, 100, 5829.
44. C. J. Jameson, H. S. Gutowsky, J. Chem. Phys. 1964, 40, 1714.
45. D. Auer, M. Kaupp, C. Strohmann, Organometallics 2004, 23, 3647.
46. J. M. Foster, S. F. Boys, Rev. Mod. Phys. 1960, 32, 300.
47. W. Kutzelnigg, U. Fleischer, M. Schindler, NMR Basic Principles and Progress, Vol. 23 (Eds.:, P. Diehl, E. Fluck, H. Günther, R. Kosfeld, J. Seelig,), Springer, Berlin, 1990, p. 235.
48. D. Massiot, F. Fayon, M. Capron, I. King, S. Le Calvé, B. Alonso, J. O. Durand, B. Bujoli, Z. Gan, G. Hoatson, Magn. Reson. Chem. 2002, 40, 70.
49. T. Gullion, D. B. Baker, M. S. Conradi, J. Magn. Reson. 1990, 89, 479
50. M. J. Lizak, T. Gullion, M. S. Conradi, J. Magn. Reson. 1991, 91, 254.
51. R. Ahlrichs, M. Bär, M. Häser, H. Horn, C. Kölmel, Chem. Phys. Lett. 1989, 162, 165
52. R. Ahlrichs, F. Furche, C. Hättig, TURBOMOLE, version 6.0, Universität Karlsruhe, Karlsruhe, 2009.
53. O. Treutler, R. Ahlrichs, J. Chem. Phys. 1995, 102, 346.
54. K. Eichkorn, F. Weigend, O. Treutler, R. Ahlrichs, Theor. Chem. Acc. 1997, 97, 119
55. K. Eichkorn, O. Treutler, H. Ãhm, M. Häser, R. Ahlrichs, Chem. Phys. Lett 1995, 242, 652.
56. R. Ditchfield, Mol. Phys. 1974, 27, 789.
57. D. Auer, C. Strohmann, A. V. Arbuznikov, M. Kaupp, Organometallics 2003, 22, 2442
58. T. Helgaker, P. J. Wilson, R. D. Amos, N. C. Handy, J. Chem. Phys. 2000, 113, 2983.