Free H2 rotation vs jahn-teller constraints in the nonclassical trigonal (TPB)Co-H2 complex

Journal of the American Chemical Society

Volumn 136, Issue 42, 2014, Pages 14998-15009

  Gunderson, William A ^a   Suess, Daniel L M ^b   Fong, Henry ^b   Wang, Xiaoping ^c   Hoffmann, Christina M ^c   Cutsail Iii, George E ^a   Peters, Jonas C ^b   Hoffman, Brian M ^a  

^a NORTHWESTERN UNIVERSITY   (United States)

^b California Institute of Technology   (United States)

^c OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

JAHN-TELLER;

COBALT; HYDROGEN; IRON; PROTON; SILICON;

ARTICLE; CHEMICAL BOND; CHEMICAL STRUCTURE; COMPLEX FORMATION;

EID: 84908409539     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja508117h     Document Type: Article

References (52)

1. Kubas, G. J. J. Organomet. Chem. 2014, 751, 33
2. Kubas, G. J. Chem. Rev. 2007, 107, 4152
3. Eckert, J. Spectrochim. Acta 1992, 48A, 363
4. Buntkowsky, G.; Limbach, H. H. J. Low Temp. Phys. 2006, 143, 55
5. Farkas, A. Orthohydrogen, Parahydrogen and Heavy Hydrogen; Cambridge University Press: London, 1935.
6. Morris, R. H. Coord. Chem. Rev. 2008, 252, 2381
7. McConnell, H. M. J. Chem. Phys. 1958, 29, 1422
8. Eckert, J.; Kubas, G. J.; Dianoux, A. J. J. Chem. Phys. 1988, 88, 466
9. Eckert, J.; Kubas, G.; Hall, J.; Hay, P. J.; Boyle, C. J. Am. Chem. Soc. 1990, 112, 2324
10. Kubas, G. J., Ed.; Metal Dihydrogen and Σ-Bond Complexes: Structure, Theory and Reactivity; Kluwer Academic/Plenum Publishers: New York, 2001.
11. Kubas, G. J.; Burns, C. J.; Eckert, J.; Johnson, S. W.; Larson, A. C.; Vergamini, P. J.; Unkefer, C. J.; Khalsa, G. R. K.; Jackson, S. A.; Eisenstein, O. J. Am. Chem. Soc. 1993, 115, 569
12. Eckert, J.; Blank, H.; Bautista, M. T.; Morris, R. H. Inorg. Chem. 1990, 29, 747
13. Li, S. H.; Hall, M. B.; Eckert, J.; Jensen, C. M.; Albinati, A. J. Am. Chem. Soc. 2000, 122, 2903
14. Vandersluys, L. S.; Eckert, J.; Eisenstein, O.; Hall, J. H.; Huffman, J. C.; Jackson, S. A.; Koetzle, T. F.; Kubas, G. J.; Vergamini, P. J.; Caulton, K. G. J. Am. Chem. Soc. 1990, 112, 4831
15. Eckert, J.; Kubas, G. J. J. Phys. Chem. 1993, 97, 2378
16. Eckert, J.; Albinati, A.; White, R. P.; Bianchini, C.; Peruzzini, M. Inorg. Chem. 1992, 31, 4241
17. Eckert, J.; Albinati, A.; Bucher, U. E.; Venanzi, L. M. Inorg. Chem. 1996, 35, 1292
18. Suess, D. L. M.; Tsay, C.; Peters, J. C. J. Am. Chem. Soc. 2012, 134, 14158
19. Lee, Y.; Kinney, R. A.; Hoffman, B. M.; Peters, J. C. J. Am. Chem. Soc. 2011, 133, 16366
20. McNaughton, R. L.; Roemelt, M.; Chin, J. M.; Schrock, R. R.; Neese, F.; Hoffman, B. M. J. Am. Chem. Soc. 2010, 132, 8645
21. Bersuker, I. B. Chem. Rev. 2013, 113, 1351
22. Bersuker, I. B. The Jahn-Teller Effect, 1 st ed.; Cambridge University Press: Cambridge, 2006.
23. Doslic, N.; Gomzi, V.; Malis, M.; Matanovic, I.; Eckert, J. Inorg. Chem. 2011, 50, 10740
24. Eckert, J.; Webster, C. E.; Hall, M. B.; Albinati, A.; Venanzi, L. M. Inorg. Chim. Acta 2002, 330, 240
25. Hoffman, B. M.; DeRose, V. I.; Ong, J. L.; Davoust, C. E. J. Magn. Reson. 1994, 110, 52-57
26. Epel, B.; Gromov, I.; Stoll, S.; Schweiger, A.; Goldfarb, D. Concepts Magn. Reson., Part B 2005, 26B, 36
27. Jogl, G.; Wang, X.; Mason, S. A.; Kovalevsky, A.; Mustyakimov, M.; Fisher, Z.; Hoffman, C.; Kratky, C.; Langan, P. Acta Crystallogr., Sect. D: Biol. Crystallogr. 2011, 67, 584
28. Zikovsky, J.; Peterson, P. F.; Wang, X. P. P.; Frost, M.; Hoffmann, C. J. Appl. Crystallogr. 2011, 44, 418
29. Schultz, A. J.; Jorgensen, M. R. V.; Wang, X.; Mikkelson, R. L.; Mikkelson, D. J.; Lynch, V. E.; Peterson, P. F.; Green, M. L.; Hoffmann, C. M. J. Appl. Cryst. 2014, 47, 915
30. Schultz, A. J.; Srinivasan, K.; Teller, R. G.; Williams, J. M.; Lukehart, C. M. J. Am. Chem. Soc. 1984, 106, 999
31. Sheldrick, G. M. Acta Crystallogr., Sect. A: Found. Crystallogr. 2008, A64, 112
32. Farrugia, L. J. J. Appl. Crystallogr. 1997, 30, 565
33. McKinnon, J. J.; Spackman, M. A.; Mitchell, A. S. Acta Crystallogr., Sect. B: Struct. Sci., Cryst. Eng. Mater. 2004, 60, 627
34. Bates, C. A.; Standley, K. J.; Stevens, K. W. H.; Moore, W. S. Proc. Phys. Soc., London 1962, 79, 73
35. Cutsail, G. E., III; Stein, B. W.; Subedi, D.; Smith, J. M.; Kirk, M. L.; Hoffman, B. M. J. Am. Chem. Soc. 2014, 136, 12323
36. Weil, J. A.; Bolton, J. R.; Wertz, J. E. Electron Paramagnetic Resonance: Elementary Theory and Practical Applications; John Wiley & Sons, Inc: New York, 1994.
37. Kinney, R. A.; Saouma, C. T.; Peters, J. C.; Hoffman, B. M. J. Am. Chem. Soc. 2012, 134, 12637
38. Snetsinger, P. A.; Chasteen, N. D.; van Willigen, H. J. Am. Chem. Soc. 1990, 112, 8155
39. McConnell, H. M.; Strathdee, J. Mol. Phys. 1959, 2, 129
40. Doan, P. E. J. Magn. Reson. 2011, 208, 76
41. Lucken, E. A. C. Nuclear Quadrupole Coupling Constants; Academic Press: New York, 1969.
42. Prager, M.; Heidemann, A. Chem. Rev. 1997, 97, 2933
43. Flygare, W. H. Molecular Structure and Dynamics; Prentice-Hall: Englewood Cliffs, NJ, 1978.
44. Schatz, G. C.; Ratner, M. A. Quantum Mechanics in Chemistry; Prentice Hall: Englewood Cliffs, NJ, 1993.
45. Ricci, J. S.; Koetzle, T. F.; Bautista, M. T.; Hofstede, T. M.; Morris, R. H.; Sawyer, J. F. J. Am. Chem. Soc. 1989, 111, 8823
46. Promolecule is the sum of electron density distribution of spherical atoms within the same molecule: McKinnon, J. J.; Spackman, M. A.; Mitchell, A. S. Acta Crystallogr., Sect. B: Struct. Sci. 2004, 60, 6270-668
47. McConnell, H. M. J. Chem. Phys. 1956, 24, 764
48. Janak, K. E.; Shin, J. H.; Parkin, G. J. Am. Chem. Soc. 2004, 126, 13054
49. Pons, V.; Conway, S. L.; Green, M. L.; Green, J. C.; Herbert, B. J.; Heinekey, D. M. Inorg. Chem. 2004, 43, 3475
50. Whited, M. T.; Mankad, N. P.; Lee, Y.; Oblad, P. F.; Peters, J. C. Inorg. Chem. 2009, 48, 2507
51. Lee, Y.; Mankad, N. P.; Peters, J. C. Nat. Chem. 2010, 2, 558
52. Morris, R. H.; Earl, K. A.; Luck, R. L.; Lazarowych, N. J.; Sella, A. Inorg. Chem. 1987, 26, 2674