Hydrogen storage in ammonia triborane: Properties and behavior of the chemical bonds

Inorganic Chemistry Communications

Volumn 10, Issue 10, 2007, Pages 1229-1232

  Sundberg, Markku R ^a   Sanchez Gonzalez, Angel ^a  

^a UNIVERSITY OF HELSINKI   (Finland)

Author keywords

Chemical bonding; ELF; Hydrogen storage; NBO; QTAIM; Triborane

Indexed keywords

EID: 34548602980     PISSN: 13877003     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.inoche.2007.07.019     Document Type: Article

References (18)

1. Yonn C.W., and Sneddon L.G. J. Am. Chem. Soc. 128 (2006) 13992-13993
2. Chancdra M., and Xu Q.J. J. Power Sources 156 (2006) 190-194
3. R.J. Keaton, J.M. Blacquiere, R.T. Baker, J. Am. Chem. Soc. doi:10.1021/ja066860i.
4. Stephens F.H., Baker R.T., Matus M.H., Grant D.J., and Dixon D.A. Angew. Chem., Int. Ed. 46 (2007) 746
5. Häussermann U., Blomqvist H., and Noréus D. Inorg. Chem. 41 (2002) 3684
6. Bader R.F.W. Atoms in Molecules: A Quantum Theory (1990), Clarendon Press, Oxford
7. Popelier P. Atoms in Molecules - An Introduction (2000), Prentice Hall, Singapore
8. MORPHY98, a program written by P.L.A. Popelier with a contribution from R.G.A. Bone, UMIST: Manchester, England, 1998.
9. Biegler-König F.W., Bader R.F.W., and Ting-Hua T. J. Comput. Chem. 3 (1982) 317
10. Biegler-König F.W., and Schönbom J. AIM2000 Version 2.0 (2002), University of Applied Sciences, Bielefeld, Germany
11. Becke A.D., and Edgecombe K.E. J. Chem. Phys. 98 (1999) 5397
12. ToPMoD input Manual, Stéphane Noury, Xénophon Krokidis, Frank Fuster and Bernard Silvi, Laboratoire de Chimie Théorique (UMR-CNRS 7616) Université Pierre et Marie Curie, 75252 Paris cédex, France.
13. Reed A.E., Curtiss L.A., and Weinhold F. Chem. Rev. 88 (1988) 899
14. Weinhold F., and Landis C. Valency and Bonding - A Natural Bond Orbital Donor-Acceptor Perspective (2005), Cambridge University Press, Cambridge
15. Glendening E.D., Badenhoop J.K., Reed A.E., Carpenter J.E., Bohmann J.A., Morales C.M., and Weinhold F. NBO 5.0 (2001), Theoretical Chemistry Institute, University, Wisconsin, Madison
16. Møller C., and Plesset M.S. Phys. Rev. 46 (1934) 618
17. M.J. Frisch et al., Gaussian 03, Revision C.02, 2004.
18. Chesnut D.B. J. Phys. Chem. A 107 (2003) 4307