Gold behaves as hydrogen: Prediction on the existence of a new class of boron-containing radicals, AuBX (X=F,Cl,Br)

Journal of Chemical Physics

Volumn 123, Issue 24, 2005, Pages

  Ghanty, Tapan K ^a  

^a BHABHA ATOMIC RESEARCH CENTRE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

AUBX RADICALS; BOND DISSOCIATION ENERGIES; GOLD-HYDROGEN ANALOGY; NOVEL HYDRIDE SPECIES;

BORON; CHEMICAL BONDS; DISSOCIATION; ELECTRONIC STRUCTURE; HYDRIDES; METALS; QUANTUM THEORY;

GOLD COMPOUNDS;

EID: 29744464329     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2137316     Document Type: Article

References (25)

1. P. Pyykkö, Angew. Chem., Int. Ed. Engl. 43, 4412 (2004), and references therein.
2. P. Pyykkö, Angew. Chem., Int. Ed. Engl. 41, 3573 (2002), and references therein.
3. H. Schwarz, Angew. Chem., Int. Ed. Engl. 42, 4442 (2003).
4. L. Gagliardi, J. Am. Chem. Soc. 125, 7504 (2003).
5. T. K. Ghanty, K. R. S. Chandrakumar, and S. K. Ghosh, J. Chem. Phys. 120, 11363 (2004).
6. L. Gagliardi and P. Pyykkö, Phys. Chem. Chem. Phys. 6, 2904 (2004).
7. L. Gagliardi and P. Pyykkö, J. Am. Chem. Soc. 126, 15014 (2004).
8. A. Avramopoulos, M. G. Papadopopoulos, and A. J. Sadlej, Chem. Phys. Lett. 370, 765 (2003).
9. B. Kiran, X. Li, H.-J. Zhai, L.-F. Cui, and L.-S. Wang, Angew. Chem., Int. Ed. Engl. 0570-0833 10.1002/anie.200353602 43, 2125 (2004); X. Li, B. Kiran, and L.-S. Wang, J. Phys. Chem. A 109, 4366 (2005).
10. B. Kiran, X. Li, H.-J. Zhai, L.-F. Cui, and L.-S. Wang, Angew. Chem., Int. Ed. Engl. 0570-0833 10.1002/anie.200353602 43, 2125 (2004); X. Li, B. Kiran, and L.-S. Wang, J. Phys. Chem. A 109, 4366 (2005).
11. J. W. Lauher and K. Wald, J. Am. Chem. Soc. 103, 7648 (1981).
12. T. K. Ghanty, J. Chem. Phys. 123, 074323 (2005).
13. S.-G. He, F. X. Sunahori, and D. J. Clouthier, J. Am. Chem. Soc. 127, 10814 (2005).
14. A. D. Becke, J. Chem. Phys. 0021-9606 10.1063/1.464304 98, 1372 (1993); A. D. Becke, J. Chem. Phys. 0021-9606 10.1063/1.464913 98, 5648 (1993); C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988).
15. A. D. Becke, J. Chem. Phys. 0021-9606 10.1063/1.464304 98, 1372 (1993); A. D. Becke, J. Chem. Phys. 0021-9606 10.1063/1.464913 98, 5648 (1993); C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988).
16. A. D. Becke, J. Chem. Phys. 0021-9606 10.1063/1.464304 98, 1372 (1993); A. D. Becke, J. Chem. Phys. 0021-9606 10.1063/1.464913 98, 5648 (1993); C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988).
17. P. J. Stephens, F. J. Devlin, C. F. Chabalowski, and M. J. Frisch, J. Phys. Chem. 98, 11623 (1994).
18. M. J. Frisch, M. Head-Gordon, and J. A. Pople, Chem. Phys. Lett. 166, 275 (1990).
19. U. Andrae, M. Haussermann, M. Dolg, H. Stoll, and H. Preuss, Theor. Chim. Acta 77, 123 (1990); Institut fur Theoretische Chemie, Univeritat Stuttgart, ECPs and corresponding valence basis sets, http://www.theochem.uni-stuttgart.de
20. U. Andrae, M. Haussermann, M. Dolg, H. Stoll, and H. Preuss, Theor. Chim. Acta 77, 123 (1990); Institut fur Theoretische Chemie, Univeritat Stuttgart, ECPs and corresponding valence basis sets, http://www.theochem.uni-stuttgart.de
21. P. Pyykkö, N. Runeberg, and F. Mendizabal, Chem.-Eur. J. 3, 1451 (1997).
22. M. W. Schmidt, K. K. BalDridge, J. A. Boatz, J. Comput. Chem. 14, 1347 (1993).
23. R. F. W. Bader, Atoms in Molecules-A Quantum Theory (Oxford University Press, Oxford, 1990); F. W. Klieger-Konig, R. F. W. Bader, and T. H. Tang, J. Comput. Chem. 3, 317 (1982).
24. R. F. W. Bader, Atoms in Molecules-A Quantum Theory (Oxford University Press, Oxford, 1990); F. W. Klieger-Konig, R. F. W. Bader, and T. H. Tang, J. Comput. Chem. 3, 317 (1982).
25. P. Pyykkö and Y. Zhao, Chem. Phys. Lett. 177, 103 (1991).