Major differences between the binuclear manganese boronyl carbonyl Mn 2(BO)2(CO)9 and its isoelectronic chromium carbonyl analogue Cr2(CO)11

Journal of Physical Chemistry A

Volumn 117, Issue 10, 2013, Pages 2260-2268

  Chang, Yu ^a   Li, Qian Shu ^a   Xie, Yaoming ^b   King, R Bruce ^a,b  

^a SOUTH CHINA NORMAL UNIVERSITY   (China)

^b UNIVERSITY OF GEORGIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BORON ATOM; CO-GROUP; LOWEST ENERGY STRUCTURE; MONONUCLEAR FRAGMENTS; OXYGEN ATOM; THERMO-CHEMICALLY; TWO TERMINALS; WIBERG BONDS;

ATOMS;

MANGANESE;

EID: 84875178811     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp3117177     Document Type: Article

References (42)

1. Richardson, N. A.; Xie, Y.; King, R. B.; Schaefer, H. F. J. Phys. Chem. A 2001, 105, 11134-11143
2. Sharpe, A. G. Chemistry of Cyano Complexes of the Transition Metals; Academic:, London, 1976.
3. Fehlhammer, W. P.; Fritz, M. Chem. Rev. 1993, 93, 1243-1280
4. Dunbar, K. R.; Heintz, R. A. Prog. Inorg. Chem. 1997, 45, 283-391
5. Richter-Addo, G. B.; Legzdins, P. Metal Nitrosyls; Oxford University Press: New York, 1992.
6. Hayton, T. W.; Legzdins, P.; Sharp, W. B. Chem. Rev. 2002, 102, 935-992
7. Cotton, F. A. Prog. Inorg. Chem. 1976, 21, 1-28
8. Allen, A. D.; Senoff, C. V. Chem. Commun. 1965, 621-622
9. Henderson, R. A.; Leigh, G. J.; Pickett, C. J. Adv. Inorg. Chem. Radiochem. 1983, 27, 197-292
10. Sellmann, D.; Sutter, J. Acc. Chem. Res. 1997, 3, 460-469
11. Vidović, D.; Aldridge, S. Angew. Chem., Int. Ed. 2009, 48, 3669-3672
12. Braunschweig, H.; Radacki, K.; Schneider, A. Science 2010, 328, 345
13. Braunschweig, H.; Radacki, K.; Schneider, A. Angew. Chem., Int. Ed. 2010, 49, 5993-5996
14. Gong, X.; Li, Q.-S.; Xie, Y.; King, R. B.; Schaefer, H. F. Inorg. Chem. 2010, 49, 10820-10832
15. Chang, Y.; Li, Q.-S.; Xie, Y.; King, R. B.; Schaefer, H. F. New J. Chem. 2012, 36, 1022-1030
16. Chang, Y.; Li, Q-s.; Xie, Y.; King, R. B. Inorg. Chem. 2012, 51, 8904-8915
17. Ehlers, A. W.; Baerends, E. J.; Bickelhaupt, F. M.; Radius, U. Chem.-Eur. J. 1998, 4, 210-221
18. Ziegler, T.; Autschbach, J. Chem. Rev. 2005, 105, 2695-2722
19. Bühl, M.; Kabrede, H. J. Chem. Theory Comput. 2006, 2, 1282-1290
20. Brynda, M.; Gagliardi, L.; Widmark, P. O.; Power, P. P.; Roos, B. O. Angew. Chem., Int. Ed. 2006, 45, 3804-3807
21. Sieffert, N.; Bühl, M. J. Am. Chem. Soc. 2010, 132, 8056-8070
22. Schyman, P.; Lai, W.; Chen, H.; Wang, Y.; Shaik, S. J. Am. Chem. Soc. 2011, 133, 7977-7984
23. Adams, R. D.; Pearl, W. C.; Wong, Y. O.; Zhang, Q.; Hall, M. B.; Walensky, J. R. J. Am. Chem. Soc. 2011, 133, 12994-12997
24. Lonsdale, R.; Olah, J.; Mulholland, A. J.; Harvey, J. An. J. Am. Chem. Soc. 2011, 133, 15464-15474
25. Becke, A. D. J. Chem. Phys. 1993, 98, 5648-5652
26. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785-789
27. Becke, A. D. Phys. Rev. A 1988, 38, 3098-3100
28. Perdew, J. P. Phys. Rev. B 1986, 33, 8822-8824
29. Dunning, T. H. J. Chem. Phys. 1970, 53, 2823-2833
30. Huzinaga, S. J. Chem. Phys. 1965, 42, 1293-1302
31. Wachters, A. J. H. J. Chem. Phys. 1970, 52, 1033-1036
32. Hood, D. M.; Pitzer, R. M.; Schaefer, H. F. J. Chem. Phys. 1979, 71, 705-712
33. Jonas, V.; Thiel, W. J. Chem. Phys. 1995, 102, 8474-8484
34. Silaghi-Dumitrescu, I.; Bitterwolf, T. E.; King, R. B. J. Am. Chem. Soc. 2006, 128, 5342-5343
35. Frisch, M. J.; Gaussian 03, Revision D 01; Gaussian, Inc.: Wallingford, CT, 2004, (see Supporting Information for complete reference).
36. Zhang, Z.; Li, Q.-S.; Xie, Y.; King, R. B.; Schaefer, H. F. J. Phys. Chem. A 2010, 114, 486-497
37. Almenningen, A.; Jacobsen, G. G.; Seip, H. M. Acta Chem. Scand. 1969, 23, 685-686
38. Martin, M.; Rees, B.; Mitschler, A. Acta Crystallogr. 1963, B38, 6-15
39. Wang, H.; Xie, Y.; King, R. B.; Schaefer, H. F. J. Am. Chem. Soc. 2006, 128, 11376-11384
40. Dou, N.; Peng, B.; Li, Q.-s.; Xie, Y.; King, R. B.; Schaefer, H. F. Polyhedron 2012, http://dx.doi.org/10.1016/j.poly.2012.05.023.
41. Huber, K. P.; Herzberg, G. Molecular Spectra and Molecular Structure IV. Constants of Diatomic Molecules; Van Nostrand: New York, 1979.
42. Braunschweig, H.; Radacki, K.; Schneider, A. Chem. Commun. 2010, 46, 6473-6475