The Mechanism of E-H (E = N, O) Bond Activation by a Germanium Corrole Complex: A Combined Experimental and Computational Study

Journal of the American Chemical Society

Volumn 137, Issue 22, 2015, Pages 7122-7127

  Fang, Huayi ^a   Jing, Huize ^a   Ge, Haonan ^a   Brothers, Penelope J ^b   Fu, Xuefeng ^a   Ye, Shengfa ^c  

^a PEKING UNIVERSITY   (China)

^b UNIVERSITY OF AUCKLAND   (New Zealand)

^c MAX PLANCK INSTITUTE FOR CHEMICAL ENERGY CONVERSION   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ACTIVATION; COMPUTATION THEORY; DENSITY FUNCTIONAL THEORY; ELECTRON SPIN RESONANCE SPECTROSCOPY; FREE RADICAL REACTIONS; GERMANIUM; MAGNETIC RESONANCE; PARAMAGNETIC RESONANCE; POLYPYRROLES;

BOND ACTIVATION; CHEMICAL EQUATIONS; COMPUTATIONAL STUDIES; ELECTRON PARAMAGNETIC RESONANCES (EPR); HIGH REACTIVITY; PENTAFLUOROPHENYL; PROTON COUPLED ELECTRON TRANSFERS; VISIBLE-LIGHT IRRADIATION;

CHEMICAL BONDS;

GERMANIUM;

ARTICLE; CHEMICAL BOND; DENSITY FUNCTIONAL THEORY; ELECTRON SPIN RESONANCE; ELECTRON TRANSPORT; IRRADIATION; LIGHT; PROTON TRANSPORT; REACTION ANALYSIS;

EID: 84935893230     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/jacs.5b01121     Document Type: Article

References (66)

1. Milsmann, C.; Semproni, S. P.; Chirik, P. J. J. Am. Chem. Soc. 2014, 136, 12099
2. Fafard, C. M.; Adhikari, D.; Foxman, B. M.; Mindiola, D. J.; Ozerov, O. V. J. Am. Chem. Soc. 2007, 129, 10318
3. Napoline, J. W.; Bezpalko, M. W.; Foxman, B. M.; Thomas, C. M. Chem. Commun. 2013, 49, 4388
4. Cui, X.; Xu, X.; Jin, L.-M.; Wojtas, L.; Zhang, X. P. Chem. Sci. 2015, 6, 1219
5. Paul, N. D.; Mandal, S.; Otte, M.; Cui, X.; Zhang, X. P.; de Bruin, B. J. Am. Chem. Soc. 2014, 136, 1090
6. Poli, R. Angew. Chem., Int. Ed. 2011, 50, 43
7. Qian, Y. Y.; Li, B. Z.; Chan, K. S. Organometallics 2013, 32, 1567
8. Uyeda, C.; Peters, J. C. Chem. Sci. 2013, 4, 157
9. Takaoka, A.; Moret, M.-E.; Peters, J. C. J. Am. Chem. Soc. 2012, 134, 6695
10. van der Eide, E. F.; Liu, T.; Camaioni, D. M.; Walter, E. D.; Bullock, R. M. Organometallics 2012, 31, 1775
11. Puschmann, F. F.; Grützmacher, H.; de Bruin, B. J. Am. Chem. Soc. 2010, 132, 73
12. Wayland, B. B.; Ba, S.; Sherry, A. E. J. Am. Chem. Soc. 1991, 113, 5305
13. Sherry, A. E.; Wayland, B. B. J. Am. Chem. Soc. 1990, 112, 1259
14. Lyaskovskyy, V.; de Bruin, B. ACS Catal. 2012, 2, 270
15. Gunanathan, C.; Milstein, D. Acc. Chem. Res. 2011, 44, 588
16. Thomas, K. E.; Alemayehu, A. B.; Conradie, J.; Beavers, C. M.; Ghosh, A. Acc. Chem. Res. 2012, 45, 1203
17. Wang, M.; England, J.; Weyhermüller, T.; Wieghardt, K. Inorg. Chem. 2014, 53, 2276
18. Power, P. P. Nature 2010, 463, 171
19. Ye, S.; Geng, C.-Y.; Shaik, S.; Neese, F. Phys. Chem. Chem. Phys. 2013, 15, 8017
20. Woodul, W. D.; Carter, E.; Müller, R.; Richards, A. F.; Stasch, A.; Kaupp, M.; Murphy, D. M.; Driess, M.; Jones, C. J. Am. Chem. Soc. 2011, 133, 10074
21. Power, P. P. Chem. Rev. 2003, 103, 789
22. Lee, V. Y.; Sekiguchi, A. Eur. J. Inorg. Chem. 2005, 2005, 1209
23. Fang, H.; Ling, Z.; Lang, K.; Brothers, P. J.; de Bruin, B.; Fu, X. Chem. Sci. 2014, 5, 916
24. Fang, H.; Ling, Z.; Brothers, P. J.; Fu, X. Chem. Commun. 2011, 47, 11677
25. Luo, Y.-R. Comprehensive Handbook of Chemical Bond Energies; CRC Press: Boca Raton, FL, 2007.
26. Sheberla, D.; Tumanskii, B.; Bravo-Zhivotovskii, D.; Molev, G.; Molev, V.; Lee, V. Y.; Takanashi, K.; Sekiguchi, A.; Apeloig, Y. Organometallics 2010, 29, 5596
27. Nardis, S.; Paolesse, R.; Licoccia, S.; Fronczek, F. R.; Vicente, M. G.; Shokhireva, T. K.; Cai, S.; Walker, F. A. Inorg. Chem. 2005, 44, 7030
28. Ye, S.; Tuttle, T.; Bill, E.; Simkhovich, L.; Gross, Z.; Thiel, W.; Neese, F. Chem.-Eur. J. 2008, 14, 10839
29. Neese, F. J. Am. Chem. Soc. 2006, 128, 10213
30. Mayer, J. M. Acc. Chem. Res. 2011, 44, 36
31. Mayer, J. M. Acc. Chem. Res. 1998, 31, 441
32. Dietl, N.; Schlangen, M.; Schwarz, H. Angew. Chem., Int. Ed. 2012, 51, 5544
33. Mayer, J. M.; Hrovat, D. A.; Thomas, J. L.; Borden, W. T. J. Am. Chem. Soc. 2002, 124, 11142
34. Li, C.; Danovich, D.; Shaik, S. Chem. Sci. 2012, 3, 1903
35. Cembran, A.; Provorse, M. R.; Wang, C.; Wu, W.; Gao, J. J. Chem. Theory Comput. 2012, 8, 4347
36. Ye, S.; Neese, F. Proc. Natl. Acad. Sci. U.S.A. 2011, 108, 1228
37. Geng, C.-Y.; Ye, S.; Neese, F. Angew. Chem., Int. Ed. 2010, 49, 5717
38. Usharani, D.; Lacy, D. C.; Borovik, A. S.; Shaik, S. J. Am. Chem. Soc. 2013, 135, 17090
39. Neese, F. J. Phys. Chem. Solids 2004, 65, 781
40. Neese, F. Wiley Interdiscip. Rev.: Comput. Mol. Sci. 2012, 2, 73
41. Becke, A. D. Phys. Rev. A 1988, 38, 3098
42. Perdew, J. P. Phys. Rev. B 1986, 34, 7406
43. Perdew, J. P. Phys. Rev. B 1986, 33, 8822
44. Becke, A. D. J. Chem. Phys. 1993, 98, 5648
45. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785
46. Vosko, S. H.; Wilk, M.; Nusair, M. Can. J. Phys. 1980, 58, 1200
47. Stephens, P. J.; Devlin, F. J.; Chabalowski, C. F.; Frisch, M. J. J. Phys. Chem. 1994, 98, 11623
48. Weigend, F.; Ahlrichs, R. Phys. Chem. Chem. Phys. 2005, 7, 3297
49. Schäfer, A.; Horn, H.; Ahlrichs, R. J. Chem. Phys. 1992, 97, 2571
50. Kendall, R. A.; Früchtl, H. A. Theor. Chem. Acc. 1997, 97, 158
51. Eichkorn, K.; Weigend, F.; Treutler, O.; Ahlrichs, R. Theor. Chem. Acc. 1997, 97, 119
52. Neese, F.; Wennmohs, F.; Hansen, A.; Becker, U. Chem. Phys. 2009, 356, 98
53. Eichkorn, K.; Treutler, O.; Öhm, H.; Häser, M.; Ahlrichs, R. Chem. Phys. Lett. 1995, 240, 283
54. Grimme, S.; Ehrlich, S.; Goerigk, L. J. Comput. Chem. 2011, 32, 1456
55. Grimme, S. J. Comput. Chem. 2004, 25, 1463
56. Grimme, S. J. Comput. Chem. 2006, 27, 1787
57. Grimme, S.; Antony, J.; Ehrlich, S.; Krieg, H. J. Chem. Phys. 2010, 132, 154104
58. Klamt, A.; Schüürmann, G. J. Chem. Soc., Perkin Trans. 2 1993, 799
59. Sinnecker, S.; Rajendran, A.; Klamt, A.; Diedenhofen, M.; Neese, F. J. Phys. Chem. A 2006, 110, 2235
60. Noodleman, L. J. Chem. Phys. 1981, 74, 5737
61. Chan, K. S.; Li, X. Z.; Dzik, W. I.; de Bruin, B. J. Am. Chem. Soc. 2008, 130, 2051
62. Kirchner, B.; Wennmohs, F.; Ye, S.; Neese, F. Curr. Opin. Chem. Biol. 2007, 11, 134
63. Xue, G.; Geng, C.-Y.; Ye, S.; Fiedler, A. T.; Neese, F.; Que, L., Jr. Inorg. Chem. 2013, 52, 3976
64. Ye, S.; Riplinger, C.; Hansen, A.; Krebs, C.; Bollinger, M., Jr.; Neese, F. Chem.-Eur. J. 2012, 18, 6555
65. Song, J.; Klein, E. L.; Neese, F.; Ye, S. Inorg. Chem. 2014, 53, 7500
66. Connors, K. A. Chemical Kinetics: The Study of Reaction Rates in Solution; VCH: New York, 1990; pp 99 - 101.