Structural and computational studies of Cp(CO)2(PCy3)MoFBF3, a complex with a bound BF4- ligand

Inorganica Chimica Acta

Volumn 363, Issue 3, 2010, Pages 581-585

  Cheng, Tan Yun ^a   Szalda, David J ^a   Franz, James A ^b   Morris Bullock, R ^a,b  

^a BROOKHAVEN NATIONAL LABORATORY   (United States)

^b PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

DFT computations; Hydride transfer reactions; Metal hydride; Molybdenum complex; Weakly coordinating ligand

Indexed keywords

BOND LENGTH; CRYSTAL STRUCTURE; ELECTRONIC STRUCTURE; HYDRIDES; ISOMERS; LIGANDS; MOLYBDENUM COMPOUNDS;

COORDINATING LIGANDS; DFT COMPUTATIONS; HYDRIDE-TRANSFER REACTION; METAL HYDRIDES; MOLYBDENUM COMPLEX;

CHLORINE COMPOUNDS;

EID: 75749132435     PISSN: 00201693     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ica.2009.02.028     Document Type: Article

References (46)

1. Beck W., and Sünkel K. Chem. Rev. 88 (1988) 1405
2. Honeychuck R.V., and Hersh W.H. Inorg. Chem. 28 (1989) 2869
3. Honeychuck R.V., and Hersh W.H. J. Am. Chem. Soc. 111 (1989) 6056
4. Hersh W.H. Inorg. Chem. 29 (1990) 713
5. Strauss S.H. Chem. Rev. 93 (1993) 927
6. Krossing I., and Raabe I. Angew. Chem., Int. Ed. 43 (2004) 2066
7. Chen E.Y.-X., and Marks T.J. Chem. Rev. 100 (2000) 1391
8. Song J.-S., Szalda D.J., Bullock R.M., Lawrie C.J.C., Rodkin M.A., and Norton J.R. Angew. Chem., Int. Ed. Engl. 31 (1992) 1233
9. Song J.-S., Szalda D.J., and Bullock R.M. Organometallics 20 (2001) 3337
10. Bullock R.M., and Voges M.H. J. Am. Chem. Soc. 122 (2000) 12594
11. Kimmich B.F.M., Fagan P.J., Hauptman E., Marshall W.J., and Bullock R.M. Organometallics 24 (2005) 6220
12. Voges M.H., and Bullock R.M. J. Chem. Soc., Dalton Trans. (2002) 759
13. Bullock R.M. Chem. Eur. J. 10 (2004) 2366
14. Bullock R.M. In: de Vries J.G. (Ed). Handbook of Homogeneous Hydrogenation vol. 1 (2007), Wiley-VCH, Weinheim, Germany 153 (Chapter 7, C. J. Elsevier)
15. Cheng T.-Y., Brunschwig B.S., and Bullock R.M. J. Am. Chem. Soc. 120 (1998) 13121
16. Cheng T.-Y., and Bullock R.M. J. Am. Chem. Soc. 121 (1999) 3150
17. Cheng T.-Y., and Bullock R.M. Organometallics 21 (2002) 2325
18. Bahr S.R., and Boudjouk P. J. Org. Chem. 57 (1992) 5545
19. Becke A.D. J. Chem. Phys. 98 (1993) 5648
20. Stevens W.J., Basch H., and Krauss M. J. Chem. Phys. 81 (1984) 6026
21. Stevens W.J., Krauss M., Basch H., and Jasien P.G. Can. J. Chem. 70 (1992) 612
22. Cundari T., and Stevens W.J. J. Chem. Phys. 98 (1993) 5555
23. Faller J.W., and Anderson A.S. J. Am. Chem. Soc. 92 (1970) 5852
24. Ryan O.B., Tilset M., and Parker V.D. J. Am. Chem. Soc. 112 (1990) 2618
25. Papish E.T., Rix F.C., Spetseris N., Norton J.R., and Williams R.D. J. Am. Chem. Soc. 122 (2000) 12235
26. Cipot J., Wechsler D., McDonald R., Ferguson M.J., and Stradiotto M. Organometallics 24 (2005) 1737
27. Vela J., Smith J.M., Yu Y., Ketterer N.A., Flaschenriem C.J., Lachicotte R.J., and Holland P.L. J. Am. Chem. Soc. 127 (2005) 7857
28. Yang C.S., Horng H.C., Liao F.L., and Cheng C.P. J. Chem. Soc., Chem. Commun. (1994) 1637
29. Carballo R., Castiñeiras A., García-Fontán S., Losada-González P., Abram U., and Vázquez-López E.M. Polyhedron 20 (2001) 2371
30. Watanabe M., Sato M., Nagasawa A., Kai M., Motoyama I., and Takayama T. Bull. Chem. Soc. Jpn. 72 (1999) 715
31. Lundquist E.G., Folting K., Huffman J.C., and Caulton K.G. Organometallics 9 (1990) 2254
32. Ogasawara M., Huang D., Streib W.E., Huffman J.C., Gallego-Planas N., Maseras F., Eisenstein O., and Caulton K.G. J. Am. Chem. Soc. 119 (1997) 8642
33. Day E.F., Huffman J.C., Folting K., and Christou G. J. Chem. Soc., Dalton Trans. (1997) 2837
34. Weng H.-Y., Wu Y.-Y., Wu C.-P., and Chen J.-D. Inorg. Chim. Acta 357 (2004) 1369
35. Smith K.-T., and Tilset M. J. Organomet. Chem. 431 (1992) 55
36. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery Jr., K.N. Vretven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, gaussian 03, Revision C.02, Gaussian Inc., Wallingford, CT, 2004.
37. Kulawiec R.J., and Crabtree R.H. Coord. Chem. Rev. 99 (1990) 89
38. Newbound T.D., Colsman M.R., Miller M.M., Wulfsberg G.P., Anderson O.P., and Strauss S.H. J. Am. Chem. Soc. 111 (1989) 3762
39. Colsman M.R., Newbound T.D., Marshall L.J., Noirot M.D., Miller M.M., Wulfsberg G.P., Frye J.S., Anderson O.P., and Strauss S.H. J. Am. Chem. Soc. 112 (1990) 2349
40. Bown M., and Waters J.M. J. Am. Chem. Soc. 112 (1990) 2442
41. Arndtsen B.A., and Bergman R.G. Science 270 (1995) 1970
42. Butts M.D., Scott B.L., and Kubas G.J. J. Am. Chem. Soc. 118 (1996) 11831
43. Huang D., Huffman J.C., Bollinger J.C., Eisenstein O., and Caulton K.G. J. Am. Chem. Soc. 119 (1997) 7398
44. Fang X., Huhmann-Vincent J., Scott B.L., and Kubas G.J. J. Organomet. Chem. 609 (2000) 95
45. Tellers D.M., and Bergman R.G. J. Am. Chem. Soc. 123 (2001) 11508
46. Zhang J., Barakat K.A., Cundari T.R., Gunnoe T.B., Boyle P.D., Petersen J.L., and Day C.S. Inorg. Chem. 44 (2005) 8379