Syntheses and structures of magnesium and zinc boraamidinates: EPR and DFT investigations of Li, Mg, Zn, B, and in complexes of the [PhB(N†Bu) 2]•- anion radical

Inorganic Chemistry

Volumn 45, Issue 5, 2006, Pages 2119-2131

  Chivers, Tristram ^a   Eisler, Dana J ^a   Fedorchuk, Chantall ^a   Schatte, Gabriele ^a   Tuononen, Heikki M ^a   Boeré, René T ^b  

^a UNIVERSITY OF CALGARY   (Canada)

^b UNIVERSITY OF LETHBRIDGE   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33645075463     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic0520014     Document Type: Article

References (65)

1. For reviews, see: (a) Barker, J.; Kilner, M. Coord. Chem. Rev. 1994, 133, 219.
2. (b) Edelmann, F. T. Coord. Chem. Rev. 1994, 137, 403.
3. For examples, see: (a) Boeré, R. T.; Cole, M. L.; Junk, P. C. New. J. Chem. 2005, 29, 128.
4. (b) Schmidt, J. A. R.; Arnold, J. J. Chem. Soc., Dalton Trans. 2002, 2890.
5. (c) Xia, A.; El-Kaderi, H. M.; Heeg, M. J.; Winter, C. H. J. Organomet. Chem. 2003, 682, 224.
6. (d) Sadique, A. R.; Heeg, M. J.; Winter, C. H. Inorg. Chem. 2001, 40, 6349.
7. (e) Srinivas, B.; Chang, C. C.; Chen, C. H.; Chiang, M. Y.; Chen. I.-T.; Wang, Y.; Lee, G.-H. J. Chem. Soc., Dalton Trans. 1997, 957.
8. (f) Walther, D.; Gebhardt, P.; Fischer, R.; Kreher, U.; Görls, H. Inorg. Chim. Acta 1998, 281, 181.
9. For an example, see: Cotton, F. A.; Haefner, S. C.; Matonic, J. H.; Wang, X.; Murillo, C. A. Polyhedron 1997, 16, 541.
10. For examples, see: (a) Chen, C.-T.; Huang, C.-A.; Tzeng, Y.-R.; Huang, B.-H. J. Chem. Soc., Dalton Trans. 2003, 2585.
11. (b) Kincaid, K.; Gerlach, C. P.; Giesbrecht, G. R.; Hagdorn, J. R.; Whitener, G, D,; Shafir, A.; Arnold, J. Organometallics 1999, 18, 5360.
12. For an example, see: Li, M.-D.; Chang, C. C.; Wang, Y.; Lee, G.-H.; Organometallics 1996, 15, 2571.
13. For examples, see: (a) Ergezinger, C.; Weller, F.; Dehnicke, K. Z. Z. Naturforsch. 1988, 43b, 1621.
14. (b) Coles, M. P.; Swenson, D. C.; Jordan, R. F. Organometallics 1997, 16, 5183.
15. (c) Coles, M. P.; Swenson, D. C.; Jordan, R. F. Organometallics 1998, 17, 4042.
16. (d) Kottmair-Maieron, D.; Lechler, R.; Weidlein, J. Z. Anorg. Allg. Chem. 1991, 593, 111.
17. (e) Lechler, R.; Hausen, H.-D.; Weidlein, J. J. Organomet. Chem. 1989, 559, 1.
18. (f) Barker, J.; Blacker, N. C.; Phillips, P. R.; Alcock, N. W.; Errington, W.; Wallbridge, M. G. H. J. Chem. Soc., Dalton Trans. 1996, 431.
19. For an example, see: Duchateau, R.; Meetsma, A.; Teuben, J. H. Chem. Commun. 1996, 223.
20. For an example, see: Zhou, Y.; Richeson, D. S. Inorg. Chem. 1996, 35, 2448.
21. For examples, see: (a) Hausen, H.-D.; Gerstner, F.; Shwarz, W. J. Organomet. Chem. 1978, 145, 277.
22. (b) Zhou, Y.; Richeson, D. S. Inorg. Chem. 1996, 35, 1423.
23. For an example, see: Doyle, D.; Gun'ko, Y. K.; Hitchcock, P. B.; Lappert, M. F. J. Chem. Soc., Dalton Trans. 2000, 4093.
24. (a) Fest, D.; Habben, C. D.; Meller, A.; Sheldrick, G. M.; Stalke, D.; Pauer, F. Chem. Ber. 1990, 123, 703.
25. (b) Brask, J. K.; Chivers, T.; Schatte, G. Chem. Commun. 2000, 1805.
26. (c) Chivers, T.; Fedorchuk, C.; Schatte, G.; Brask, J. K. Can. J. Chem. 2002, 80, 821.
27. (d) Chivers, T.; Fedorchuk, C.; Parvez, M. Inorg. Chem. 2004, 43, 2643.
28. (e) Blais, P.; Brask, J. K.; Chivers, T.; Fedorchuk, C.; Schatte, G. ACS Symp. Ser. 2002, 822, 195.
29. Armstrong, A. F.; Chivers, T.; Tuononen, H. M.; Parvez, M.; Boeré, R. T. Inorg. Chem 2005, 44, 7981 and references therein.
30. (a) Fusstetter, H.; Nöth, H. Chem. Ber. 1979, 112, 3672.
31. (b) Gudat, D.; Niecke, E.; Nieger, M.; Paetzold, P. Chem. Ber. 1988, 121, 565.
32. (c) Heine, A.; Fest, D.; Stalke, D.; Habben, C. D.; Meller, A.; Sheldrick, G. M. J. Chem. Soc., Chem. Commun. 1990, 742.
33. (d) Habben, C. D.; Heine, A.; Sheldrick, G. M.; Stalke, D.; Bühl, M.; Schleyer, P. V. R. Chem. Ber. 1991, 124, 47.
34. (e) Habben, C. D.; Herbst-Irmer, R.; Noltemeyer, M. Z. Naturforsch. 1991, 46b, 625.
35. (f) Habben, C. D.; Heine, A.; Sheldrick, G. M.; Stalke, D. Z. Naturforsch. 1992, 47b, 1367.
36. (g) Paetzold, P.; Hahnfeld, D.; Englert, U.; Wojnowski, W.; Dreczewski, B.; Pawelec, Z.; Walz, L. Chem. Ber. 1992, 125, 1073.
37. (h) Koch, H.-J.; Roesky, H. W.; Besser, S.; Herbst-Irmer, R. Chem. Ber. 1993, 126, 571.
38. (i) Geschwentner, M.; Noltemeyer, M.; Elter, G.; Meller, A. Z. Anorg. Allg. Chem. 1994, 620, 1403.
39. (j) Chivers, T.; Gao, X.; Parvez, M. Angew. Chem., Int. Ed. Engl. 1995, 34, 2549.
40. (k) Luthin, W.; Stratmann, J.-G.; Elter, G.; Meller, A.; Heine, A.; Gornitzka, H. Z. Anorg. Allg. Chem. 1995, 621, 1995.
41. (l) Albrecht, T.; Elter, G.; Noltemeyer, M.; Meller, A. Z. Anorg. Allg. Chem. 1998, 624, 1514.
42. Koch, H.-J.; Roesky, H. W.; Bohra, R.; Noltemeyer, M.; Schmidt, H.-G. Angew. Chem., Int. Ed. Engl. 1992, 31, 598.
43. (a) Manke, D. R.; Nocera, D. G. Inorg. Chim. Acta 2003, 345, 235.
44. (b) Manke, D. R.; Nocera, D. G. Inorg. Chem. 2003, 42, 4431.
45. (c) Manke, D. R.; Loh, Z.-H.; Nocera, D. G. Inorg. Chem. 2004, 43, 3618.
46. Chivers, T.; Fedorchuk, C.; Schatte, G.; Parvez, M. Inorg. Chem. 2003, 42, 2084.
47. Chivers, T.; Eisler, D. J.; Fedorchuk, C.; Schatte, G.; Tuononen, H. M.; Boeré, R. T. Chem. Commun. 2005, 3930.
48. The term "stable", as applied to radicals, is taken to indicate "a species that can be isolated and shows no sign of decomposition under an inert atmosphere at room temperature", whereas a "persistent" radical has "a relatively long lifetime under the conditions it is generated": Power, P. P. Chem. Rev. 2003, 103, 789.
49. Nöth, H.; Wrackmeyer, B. In Nuclear Magnetic Resonance Spectroscopy of Boron Compounds; Springer-Verlag: Berlin, 1978; pp 74-101.
50. Paetzold, P. Phosphorus, Sulfur, Silicon 1994, 93-94, 39.
51. For an example, see: Buijink, J. K.; Noltemeyer, M.; Edelmann, F. T. Z. Naturforsch., B 1991, 46, 1328. A search for Mg-N distances in the Cambridge Structural Database provided 1543 values with a mean of 2.13 Å and 948 distances in the range 1.97-2.15 Å. Similarly, for Zn-N distances, 10 000 values were found with a mean of 2.11 Å and 5174 distances in the range 2.00-2.12 Å.
52. Chivers, T.; Downard, A.; Parvez, M. Inorg. Chem. 1999, 38, 4347.
53. 17 no structural details were given.
54. Chivers, T.; Fedorchuk, C.; Parvez, M. Acta Crystallogr. 2005, C61, o47.
55. 2 rings are not well understood: Gilbert, T. M.; Gailbreath, B. D. Organometallics 2001, 20, 4727.
56. Bowser, J. R.; Neilson, R. H.; Wells, R. L. Inorg. Chem. 1978, 17, 1882.
57. In for this radical is much higher than the observed value of ∼21 G.
58. (a) Eloranta, J. XEMR, version 0.7; University of Jyväskylä: Jyväskylä, Finland, 2004.
59. (b) WINEPR SimFonia, version 1.25; Bruker Analytische: Messtechnik, Germany, 1996.
60. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, revision C.02; Gaussian, Inc.: Pittsburgh, PA, 2003.
61. (a) Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865.
62. (b) Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1997, 78, 1396.
63. (c) Perdew, J. P.; Burke, K.; Ernzerhof, M. J. Chem. Phys. 1996, 105, 9982.
64. (d) Ernzerhof, M.; Scuseria, G. E. J. Chem. Phys. 1999, 110, 5029.
65. The basis sets were used as they are referenced in the Turbomole 5.7.1 internal basis set library. These basis sets can be downloaded from the following: ftp://ftp.chemie.uni-karlsruhe.de/pub/basen/for free of charge. Site accessed Feb 2005.