New complexes of chromium(III) containing organic π-radical ligands: An experimental and density functional theory study

Inorganic Chemistry

Volumn 52, Issue 8, 2013, Pages 4472-4487

  Wang, Mei ^a   England, Jason ^a   Weyhermüller, Thomas ^a   Kokatam, Swarna Latha ^a   Pollock, Christopher J ^a   Debeer, Serena ^a,b   Shen, Jingmei ^c   Yap, Glenn P A ^c   Theopold, Klaus H ^c   Wieghardt, Karl ^a  

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

^b Cornell University ^*  (United States)

^c UNIVERSITY OF DELAWARE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84876173332     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic302743s     Document Type: Article

References (66)

1. Forum Issue on Redox-Active Ligands, Inorg. Chem. 2011, 50, 9737.
2. Chaudhuri, P.; Verani, C. N.; Bill, E.; Bothe, E.; Weyhermüller, T.; Wieghardt, K. J. Am. Chem. Soc. 2001, 123, 2213
3. Scarborough, C. C.; Wieghardt, K. Inorg. Chem. 2011, 50, 9773
4. Scarborough, C. C.; Sproules, S.; Weyhermüller, T.; DeBeer, S.; Wieghardt, K. Inorg. Chem. 2011, 50, 12446
5. Bowman, A. C.; Sproules, S.; Wieghardt, K. Inorg. Chem. 2012, 51, 3707
6. Scarborough, C. C.; Lancaster, K. M.; DeBeer, S.; Weyhermüller, T.; Sproules, S.; Wieghardt, K. Inorg. Chem. 2012, 51, 3718
7. England, J.; Scarborough, C. C.; Weyhermüller, T.; Sproules, S.; Wieghardt, K. Eur. J. Inorg. Chem. 2012, 4605
8. Scarborough, C. C.; Sproules, S.; Doonan, C. J.; Hagen, K. S.; Weyhermüller, T.; Wieghardt, K. Inorg. Chem. 2012, 51, 6969
9. Irwin, M.; Doyle, L. R.; Krämer, T.; Herchel, R.; McGrady, J. E.; Goicoechea, J. M. Inorg. Chem. 2012, 51, 12301
10. Herzog, S.; Oberender, H.; Pahl, S. Z. Chem. 1963, 3, 102
11. Herzog, S.; Oberender, H.; Pahl, S. Z. Naturforsch. 1963, 18b, 158
12. 0): Chisholm, M. H.; Huffman, J. C.; Rothwell, I. P.; Bradley, P. G.; Kress, N.; Woofdruff, W. M. J. Am. Chem. Soc. 1981, 103, 4945
13. 1-: Gore-Randall, E.; Irwin, M.; Denning, M. S.; Giocoechea, J. M. Inorg.Chem. 2009, 48, 8304
14. 2-: Bock, H.; Lehn, J.-M.; Pauls, J.; Holl, S.; Krenzel, V. Angew. Chem., Int. Ed. 1999, 38, 952
15. Benelli, C.; Dei, A.; Gatteschi, D.; Güdel, H.; Pardi, L. Inorg. Chem. 1989, 28, 3089
16. Kapre, R. R.; Bothe, E.; Weyhermüller, T.; DeBeer, S.; Muresan, N.; Wieghardt, K. Inorg. Chem. 2007, 46, 7827
17. Spikes, G. H.; Sproules, S.; Bill, E.; Weyhermüller, T.; Wieghardt, K. Inorg. Chem. 2008, 47, 10935
18. Sproules, S.; Wieghardt, K. Coord. Chem. Rev. 2011, 255, 837
19. Banerjee, P.; Sproules, S.; Weyhermüller, T.; DeBeer George, S.; Wieghardt, K. Inorg. Chem. 2009, 48, 5829
20. Kliegman, J. M.; Barnes, R. K. Tetrahedron 1970, 26, 2555
21. Bill, E.; Bothe, E.; Chaudhuri, P.; Chlopek, K.; Herebian, D.; Kokatam, S.; Ray, K.; Weyhermüller, T.; Neese, F.; Wieghardt, K. Chem.-Eur. J. 2005, 11, 204
22. Aleya, E. C.; Merrell, P. H. Synth. React. Inorg. Met.-Org. Chem. 1974, 4, 535
23. Chun, H.; Verani, C. N.; Chaudhuri, P.; Bothe, E.; Bill, E.; Weyhermüller, T.; Wieghardt, K. Inorg.Chem. 2001, 40, 4157
24. Bain, G. A.; Berry, J. F. J. Chem. Educ. 2008, 85, 532
25. George, G. N. EXAFSPAK; Stanford Synchroton Radiation Laboratory, Stanford Linear Accelerator, Stanford University: Stanford, CA, 2000.
26. Delgado-Jaime, M. U.; Mewis, C. P.; Kennepohl, P. J. Synchrotron Radiat. 2010, 17, 132
27. Sheldrick, G. M. SADABS, Bruker-Siemens Area Detector Absorption and Other Corrections, University of Göttingen, Germany, 2006; Version 2008/1.
28. ShelTXL 6.14; Bruker AXS Inc.: Madison, WI, USA, 2003.
29. Sheldrick, G. M. ShelXL97, University of Göttingen, Germany, 1997.
30. Neese, F. Orca an Ab Initio, Density Functional and Semiempirical Electronic Structure Program Package, version 2.8; Universität Bonn: Bonn, Germany, 2011.
31. Becke, A. D. Phys. Rev. A 1988, 38, 3098
32. Becke, A. D. J. Chem. Phys. 1993, 98, 5648
33. Lee, C. T.; Yang, W. T.; Parr, R. G. Phys. Rev. B 1988, 37, 785
34. Weigend, F.; Ahlrichs, R. Phys. Chem. Chem. Phys. 2005, 7, 3297
35. Schäfer, A.; Huber, C.; Ahlrichs, R. J. Chem. Phys. 1994, 100, 5829
36. Eichkorn, K.; Weigend, F.; Treutler, O.; Ahlrichs, R. Theor. Chem. Acc. 1997, 97, 119
37. Eichkorn, K.; Treutler, O.; Öhm, H.; Häser, M.; Ahlrichs, R. Chem. Phys. Lett. 1995, 240, 283
38. Eichkorn, K.; Treutler, O.; Öhm, H.; Häser, M.; Ahlrichs, R. Chem. Phys. Lett. 1995, 242, 652
39. Neese, F.; Wennmohs, F.; Hansen, A.; Becker, U. Chem. Phys. 2009, 356, 98
40. Kossmann, S.; Neese, F. Chem. Phys. Lett. 2009, 481, 240
41. Neese, F. J. Comput. Chem. 2003, 24, 1714
42. Noodleman, L. J. Chem. Phys. 1981, 74, 5737
43. Noodleman, L.; Norman, J. G.; Osborne, J. H.; Aizman, A.; Case, D. A. J. Am. Chem. Soc. 1985, 107, 3418
44. Noodleman, L.; Davidson, E. R. Chem. Phys. 1986, 109, 131
45. Noodleman, L.; Case, D. A.; Aizman, A. J. Am. Chem. Soc. 1988, 110, 1001
46. Noodleman, L.; Peng, C. Y.; Case, D. A.; Monesca, J. M. Coord. Chem. Rev. 1995, 144, 199
47. Neese, F. J. Phys. Chem. Solids 2004, 65, 781
48. Pettersen, E. F.; Goddard, T. D.; Huang, C. C.; Couch, G. S.; Greenblatt, D. M.; Meng, E. C.; Ferrin, T. E. J. Comput. Chem. 2004, 25, 1605-1612
49. Neese, F. Inorg. Chim. Acta 2002, 337, 181
50. DeBeer George, S.; Petrenko, T.; Neese, F. Inorg. Chim. Acta 2008, 361, 965
51. DeBeer George, S.; Petrenko, T.; Neese, F. J. Phys. Chem. A. 2008, 112, 12936
52. Kar, T.; Liao, M.-S.; Biswas, S.; Sarkar, S.; Dey, K.; Yap, G. P. A.; Kreisel, K. Spectrochim. Act. Part 2006, A65, 882
53. Ghosh, M.; Sproules, S.; Weyhermüller, T.; Wieghardt, K. Inorg. Chem. 2008, 47, 5963
54. Kreisel, K. A.; Yap, G. P. A.; Dmitrenko, O.; Landis, C. R.; Theopold, K. H. J. Am. Chem. Soc. 2007, 129, 14162
55. Kreisel, K. A.; Yap, G. P. A.; Theopold, K. H. Inorg. Chem. 2008, 47, 5293
56. Carter, S. M.; Sia, A.; Shaw, M. J.; Heyduk, A. F. J. Am. Chem. Soc. 2008, 130, 5838
57. de Bruin, B.; Bill, E.; Bothe, E.; Weyhermüller, T.; Wieghardt, K. Inorg. Chem. 2000, 39, 2936
58. Bart, S. C.; Chlopek, K.; Bill, E.; Bouwkamp, M. W.; Lobkovsky, E.; Neese, F.; Wieghardt, K.; Chirik, P. J. Am. Chem. Soc. 2006, 128, 13901
59. Banerjee, P.; Sproules, S.; Weyhermüller, T.; DeBeer George, S.; Wieghardt, K. Inorg. Chem. 2009, 48, 5829
60. Verani, C. N.; Gallert, S.; Bill, E.; Weyhermüller, T.; Wieghardt, K.; Chaudhuri, P. Chem. Commun. 1999, 1747
61. Soda, T.; Kitagawa, Y.; Onishi, T.; Takano, Y.; Shigeta, Y.; Nagao, H.; Yoshioka, Y.; Yamaguchi, K. Chem. Phys. Lett. 2000, 319, 223
62. Yamaguchi, K.; Takahara, Y.; Fueno, T. In Applied Quantum Chemistry; Smith, V. H., Ed.; Reidel: Dordrecht, the Netherlands, 1986; p 155.
63. Le Floch, P.; Carmichael, D.; Ricard, L.; Mathey, F.; Jutand, A.; Amatore, C. Organometallics 1992, 11, 2475
64. Klamt, A.; Jonas, V.; Burger, T.; Lohrenz, J. C. W. J. Phys. Chem. A 1998, 102, 5074
65. Pierpont, C. G. Coord. Chem. Rev. 2001, 219-221, 415
66. Kahn, O. Molecular Magnetism; Wiley-VCH Inc.: Weinheim, 1993.