Getting a theoretical handle on fullerene ions: Quantum chemical calculations on the reactions of C60+, C602+ and C603+ with ammonia

International Journal of Mass Spectrometry

Volumn 255-256, Issue 1-3, 2006, Pages 213-224

  Petrie, Simon ^a  

^a AUSTRALIAN NATIONAL UNIVERSITY   (Australia)

Author keywords

Association reaction; C60; Hybrid density functional theory; Molecular polycation; Proton transfer; Quantum chemical calculation

Indexed keywords

EID: 33747109766     PISSN: 13873806     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijms.2006.01.026     Document Type: Article

References (43)

1. Hirsch A. Chemistry of the Fullerenes (1994), Thieme, Stuttgart, Germany
2. In: Smith III A.B. (Ed). Fullerene Chemistry (1996), Pergamon, Oxford, UK
3. In: Hirsch A. (Ed). Fullerenes and Related Structures (1999), Springer, Berlin, Germany
4. Taylor R. Lecture Notes on Fullerene Chemistry: A Handbook for Chemists (1999), Imperial College Press, London, UK
5. In: Andreoni W. (Ed). The Physics of Fullerene-Based and Fullerene-Related Materials (2000), Kluwer, Dordrecht, The Netherlands
6. In: Kadish K.M., and Ruoff R.S. (Eds). Fullerenes: Chemistry, Physics, and Technology (2000), Wiley, New York, NY
7. In: Kamat P.V., Guldi D.M., and Kadish K.M. (Eds). Fullerenes 2000-Volume 10: Chemistry and Physics of Fullerenes and Carbon Nanomaterials (2000), Electrochemical Society, Pennington, NJ
8. In: Prato M. (Ed). Functionalised Fullerene Materials (2002), Royal Society of Chemistry, Cambridge, UK
9. Kroto H.W., Heath J.R., O'Brien S.C., Curl R.F., and Smalley R.E. Nature 318 (1985) 162
10. Krätschmer W., Lamb L.D., Fostiropoulos K., and Huffmann D.R. Nature 347 (1990) 354
11. Scheier P., Dünser B., Wörgötter R., Matt S., Muigg D., Senn G., and Märk T.D. Int. Rev. Phys. Chem. 15 (1996) 93
12. Diaz-Tendero S., Alcami M., and Martin F. Phys. Rev. Lett. 95 (2005) 013401
13. Bowser J.R. Adv. Organomet. Chem. 36 (1994) 57
14. Bellavia-Lund C., Hummelen J.-C., Keshavarz-K M., Gonzalez R., and Wudl F. J. Phys. Chem. Solids 58 (1997) 1983
15. Schwarz H., Weiske T., Bohme D.K., and Hrusak J. In: Billups W.E., and Ciufolini M.A. (Eds). Buckminsterfullerenes (1993), VCH, New York, NY 257
16. Shinohara H. Rep. Prog. Phys. 63 (2000) 843
17. In: Akasaka T., and Nagase S. (Eds). Endofullerenes: A New Family of Carbon Clusters (2002), Kluwer, Dordrecht, The Netherlands
18. Scheier P., Dunser B., Senn G., Drexel H., Winter H.P., Aumayr F., Betz G., Biasioli F., Fiegele T., and Märk T.D. Eur. Phys. J. D: Atom. Mol. Opt. Phys. 9 (1999) 91
19. Bohme D.K. Chem. Rev. 92 (1992) 1487
20. Petrie S., and Bohme D.K. Can. J. Chem. 72 (1993) 577
21. Bohme D.K. Int. Rev. Phys. Chem. 13 (1994) 163
22. Bohme D.K. Can. J. Chem. 77 (1999) 1453
23. Zimmerman J.A., Eyler J.R., Bach S.B.H., and McElvany S.W. J. Chem. Phys. 94 (1991) 3556
24. Petrie S., Javahery G., Wang J., and Bohme D.K. J. Phys. Chem. 96 (1992) 6121
25. Javahery G., Wincel H., Petrie S., and Bohme D.K. Chem. Phys. Lett. 204 (1993) 473
26. Petrie S., Wang J., and Bohme D.K. Chem. Phys. Lett. 204 (1993) 473
27. Steger H., de Vries J., Kamke B., Kamke W., and Drewello T. Chem. Phys. Lett. 194 (1992) 452
28. Javahery G., Petrie S., Wincel H., Wang J., and Bohme D.K. J. Am. Chem. Soc. 115 (1993) 5716
29. Javahery G., Petrie S., Ketvirtis A., Wang J., and Bohme D.K. Int. J. Mass Spectrom. Ion Process. 116 (1992) R7
30. Stry J.J., Coolbaugh M.T., Turos E., and Garvey J.F. J. Am. Chem. Soc. 114 (1992) 7914
31. Becke A.D. J. Chem. Phys. 98 (1993) 5648
32. Lee C., Yang W., and Parr R.G. Phys. Rev. B 37 (1988) 785
33. Boys S.F., and Bernardi F. Mol. Phys. 19 (1970) 553
34. Frisch M.J., Trucks G.W., Schegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Zakrzewski V.G., Montgomery Jr. J.A., Stratmann R.E., Burant J.C., Dapprich S., Millam J.M., Daniels A.D., Kudin K.N., Strain M.C., Farkas O., Tomasi J., Barone V., Cossi M., Cammi R., Mennucci B., Pomelli C., Adamo C., Clifford S., Ochterski J.W., Petersson G.A., Ayala P.Y., Cui Q., Morokuma K., Malick D.K., Rabuck A.D., Raghavachari K., Foresman J.B., Cioslowski J., Ortiz J.V., Stefanov B.B., Liu G., Liashenko A., Piskorz P., Komaromi I., Gomperts R., Martin R.L., Fox D.J., Keith T., Al-Laham M.A., Peng C.Y., Nanayakkara A., Gonzalez C., Challacombe M., Gill P.M.W., Johnson B.G., Chen W., Wong M.W., Andres J.L., Head-Gordon M., Replogle E.S., and Pople J.A. GAUSSIAN98 (Rev. A.7) (1998), Gaussian, Inc., Pittsburgh, PA
35. Montgomery Jr. J.A., Ochterski J.W., and Petersson G.A. J. Chem. Phys. 101 (1994) 5900
36. Javahery G., Petrie S., Wang J., Wincel H., and Bohme D.K. J. Am. Chem. Soc. 115 (1993) 9701
37. Javahery G., Petrie S., Wincel H., Wang J., and Bohme D.K. J. Am. Chem. Soc. 115 (1993) 6295
38. Petrie S., and Bohme D.K. Nature 365 (1993) 426
39. Taylor R. J. Chem. Soc. Perkin Trans. 2 (1993) 813
40. Petrie S., Javahery G., Wincel H., and Bohme D.K. J. Am. Chem. Soc. 115 (1993) 6290
41. Petrie S., Javahery G., and Bohme D.K. J. Am. Chem. Soc. 115 (1993) 1445
42. Narita S., Morikawa T., and Shibuya T.-I. J. Mol. Struct. (Theochem) 528 (2000) 263
43. Harvey J.N., and Bathelt C. Int. J. Mass Spectrom. 249-250 (2006) 359-363