Transition-metal-centered nine-membered boron rings: M©B 9 and M©B 9 - (M = Rh, Ir)

Journal of the American Chemical Society

Volumn 134, Issue 1, 2012, Pages 165-168

  Li, Wei Li ^a   Romanescu, Constantin ^a   Galeev, Timur R ^b   Piazza, Zachary A ^a   Boldyrev, Alexander I ^b   Wang, Lai Sheng ^a  

^a BROWN UNIVERSITY   (United States)

^b UTAH STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; AMERICAN CHEMICAL SOCIETY; ANION PHOTOELECTRON; CENTRAL METALS; CHEMICAL BONDINGS; CLOSED SHELLS; HOMO-LUMO GAPS; LASER-VAPORIZATION; METAL-DOPED; SUPERSONIC MOLECULAR BEAM; THEORETICAL CALCULATIONS;

AROMATIC COMPOUNDS; CALCULATIONS; CHEMICAL ANALYSIS; CHEMICAL BONDS; IRIDIUM; ISOMERS; PHOTOELECTRON SPECTROSCOPY; PHOTONS; RHODIUM; TRANSITION METALS;

BORON;

BORON; TRANSITION ELEMENT;

AB INITIO CALCULATION; ARTICLE; CHEMICAL BINDING; ELECTRON; MOLECULE; VAPORIZATION; X RAY PHOTOELECTRON SPECTROSCOPY;

EID: 84862909351     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja209808k     Document Type: Article

References (32)

1. Alexandrova, A. N.; Boldyrev, A. I.; Zhai, H. J.; Wang, L. S. Coord. Chem. Rev. 2006, 250, 2811
2. Zhai, H. J.; Kiran, B.; Li, J.; Wang, L. S. Nat. Mater. 2003, 2, 827
3. Sergeeva, A. P.; Zubarev, D. Y.; Zhai, H. J.; Boldyrev, A. I.; Wang, L. S. J. Am. Chem. Soc. 2008, 130, 7244
4. Sergeeva, A. P.; Averkiev, B. B.; Zhai, H. J.; Boldyrev, A. I.; Wang, L. S. J. Chem. Phys. 2011, 134, 224304
5. Huang, W.; Sergeeva, A. P.; Zhai, H. J.; Averkiev, B. B.; Wang, L. S.; Boldyrev, A. I. Nature Chem. 2010, 2, 202
6. Kiran, B.; Bulusu, S.; Zhai, H. J.; Yoo, S.; Zeng, X. C.; Wang, L. S. Proc. Natl. Acad. Sci. U.S.A. 2005, 102, 961
7. Zhai, H. J.; Alexandrova, A. N.; Birch, K. A.; Boldyrev, A. I.; Wang, L. S. Angew. Chem., Int. Ed. 2003, 42, 6004
8. Alexandrova, A. N.; Zhai, H. J.; Wang, L. S.; Boldyrev, A. I. Inorg. Chem. 2004, 43, 3552
9. Fowler, P. W.; Gray, B. R. Inorg. Chem. 2007, 46, 2892
10. Galeev, T. R.; Romanescu, C.; Li, W. L.; Wang, L. S.; Boldyrev, A. I. J. Chem. Phys. 2011, 135, 104301
11. Luo, Q. O. Sci. China B 2008, 51, 607
12. Ito, K.; Pu, Z.; Li, Q. S.; Schleyer, P. v. R. Inorg. Chem. 2008, 47, 10906
13. Li, S. D.; Miao, C. Q.; Guo, J. C. Sci. China B 2009, 52, 900
14. Wu, Q. Y.; Tang, Y. P.; Zhang, X. H. Sci. China B 2009, 52, 288
15. Pu, Z. F.; Ito, K.; Schleyer, P. V.; Li, Q. S. Inorg. Chem. 2009, 48, 10679
16. Averkiev, B. B.; Wang, L. M.; Huang, W.; Wang, L. S.; Boldyrev, A. I. Phys. Chem. Chem. Phys. 2009, 11, 9840
17. Romanescu, C.; Galeev, T. R.; Li, W. L.; Boldyrev, A. I.; Wang, L. S. Angew. Chem., Int. Ed. 2011, 50, 9334
18. Wang, L. S.; Cheng, H. S.; Fan, J. W. J. Chem. Phys. 1995, 102, 9480
19. Huang, W.; Wang, L. S. Phys. Rev. Lett. 2009, 102, 153401
20. Wang, X. B.; Ding, C. F.; Wang, L. S. J. Chem. Phys. 1999, 110, 8217
21. Li, J.; Li, X.; Zhai, H. J.; Wang, L. S. Science 2003, 299, 864
22. Purvis, G. D.; Bartlett, R. J. J. Chem. Phys. 1982, 76, 1910
23. Raghavachari, K.; Trucks, G. W.; Pople, J. A.; Head-Gordon, M. Chem. Phys. Lett. 1989, 157, 479
24. Rowe, D. J. Rev. Mod. Phys. 1968, 40, 153
25. Simons, J.; Smith, W. D. J. Chem. Phys. 1973, 58, 4899
26. Sekino, H.; Bartlett, R. J. Int. J. Quantum Chem. 1984, 255
27. Stanton, J. F.; Bartlett, R. J. J. Chem. Phys. 1993, 98, 7029
28. Levchenko, S. V.; Krylov, A. I. J. Chem. Phys. 2004, 120, 175
29. Krishnan, R.; Binkley, J. S.; Seeger, R.; Pople, J. A. J. Chem. Phys. 1980, 72, 650
30. Frisch, M. J. Gaussian 09, Revision B.01; Gaussian, Inc.: Wallingford, CT, 2010. See the Supporting Information for the full citation.
31. Frisch, M. J. Gaussian 03, Revision D.01; Gaussian, Inc.: Wallingford, CT, 2004. See the Supporting Information for the full citation.
32. Valiev, M.; Bylaska, E. J.; Govind, N.; Kowalski, K.; Straatsma, T. P.; Van Dam, H. J. J.; Wang, D.; Nieplocha, J.; Apra, E.; Windus, T. L.; de Jong, W. Comput. Phys. Commun. 2010, 181, 1477