Microsolvation of metal ions: On the stability of [Zr(CH3CN)]4+ and other multiply charged ions

International Journal of Mass Spectrometry

Volumn 228, Issue 2-3, 2003, Pages 517-526

  Harvey, Jeremy N ^a   Kaczorowska, Malgorzata ^a  

^a UNIVERSITY OF BRISTOL   (United Kingdom)

Author keywords

Computation; Metal solvates; Multiply charged ions

Indexed keywords

ION; METAL ION; SOLVENT; ZIRCONIUM DERIVATIVE;

ARTICLE; CALCULATION; PHASE TRANSITION; REDUCTION; SOLVATION; THEORETICAL STUDY;

EID: 0041706090     PISSN: 13873806     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1387-3806(03)00160-X     Document Type: Article

References (34)

1. Pauling L. J. Chem. Phys. 1:1933;56.
2. (a) Guilhaus M., Brenton A.G., Beynon J.H., Rabrenović M., Schleyer P.V.R. J. Phys. B. 17:1984;L605
3. (b) M. Guilhaus, A.G. Brenton, J.H. Beynon, M. Rabrenović, P.V.R. Schleyer, J. Chem. Soc. Chem. Commun. (1985) 210.
4. (a) Blades A.T., Kebarle P. J. Am. Chem. Soc. 116:1994;10761
5. (b) Wang X.-B., Nicholas J.B., Wang L.-S. J. Chem. Phys. 113:2000;10837.
6. For a general review of the gas-phase chemistry of multiply charged ions, especially cations, see D. Schröder, H. Schwarz, J. Phys. Chem. A 103 (1999) 7385.
7. For a review of the gas-phase chemistry of poly-anions, see A. Dreuw, L.S. Cederbaum, Chem. Rev. 102 (2002) 181.
8. (a) Olah G.A. Angew. Chem. Int. Ed. Engl. 32:1993;767
9. (b) Olah G.A., Mathew T., Marinez E.R., Esteves P.M., Etzkorn M., Rasul G., Prakash G.K.S. J. Am. Chem. Soc. 123:2001;11556.
10. Lammertsma K., Schleyer P.V.R., Schwarz H. Angew. Chem. Int. Ed. Engl. 28:1989;1321. and references therein.
11. Heinemann C., Schröder D., Schwarz H. J. Phys. Chem. 99:1995;16195.
12. Schröder D., Harvey J.N., Schwarz H. J. Phys. Chem. A. 102:1998;3639.
13. Schröder D., Diefenbach M., Klapötke T.M., Schwarz H. Angew. Chem. Int. Ed. 38:1999;137.
14. (a) See e.g., N. Tafadar, D. Kearney, S.D. Price, J. Chem. Phys. 115 (2001) 8819
15. (b) Mrázek L., Žabka J., Dolejšek Z., Hrušak J., Herman Z. J. Phys. Chem. A. 104:2000;7294.
16. Tosi P., Correale R., Lu W., Falcinelli S., Bassi D. Phys. Rev. Lett. 82:1999;450.
17. For a review, see A.J. Stace, J. Phys. Chem. A 106 (2002) 7994.
18. Schröder D., Engeser M., Schwarz H., Harvey J.N. Chem. Phys. Chem. 3:2002;584.
19. Schröder D., Schwarz H., Wu J.L., Wesdemiotis C. Chem. Phys. Lett. 343:2001;258.
20. Walker N.R., Wright R.R., Barran P.E., Cox H., Stace A.J. J. Chem. Phys. 114:2001;5562.
21. Walker N., Dobson M.P., Wright R.R., Barran P.E., Murrell J.N., Stace A.J. J. Am. Chem. Soc. 122:2000;11138.
22. Blades A.T., Jayaweera P., Ikonomou M.G., Kebarle P. Int. J. Mass Spectrom. Ion Proc. 101:1990;325.
23. Shvartsburg A.A. J. Am. Chem. Soc. 124:2002;12343.
24. Kaczorowska M., Harvey J.N. Phys. Chem. Chem. Phys. 4:2002;5227.
25. Jaguar 4.1, Schrodinger, Inc., Portland, OR, USA, 2000.
26. Becke A.D. J. Chem. Phys. 98:1993;5648.
27. Hay P.J., Wadt W.R. J. Chem. Phys. 82:1985;299.
28. Frisch M.J., Pople J.A., Binkley J.S. J. Chem. Phys. 80:1984;3265. and references therein.
29. Walker N.R., Wright R.R., Barran P.E., Murrell J.N., Stace A.J. J. Am. Chem. Soc. 123:2001;4223.
30. (a) All experimental ionization energies of atoms have been taken from www.webelements.com, where they are collated from J.E. Huheey, E.A. Keiter, R.L. Keiter, Inorganic Chemistry: Principles of Structure and Reactivity, 4th ed., HarperCollins, New York, USA, 1993 (b) A.M. James, M.P. Lord, Macmillan's Chemical and Physical Data, Macmillan, London, UK, 1992.
31. (a) All experimental ionization energies of atoms have been taken from www.webelements.com, where they are collated from J.E. Huheey, E.A. Keiter, R.L. Keiter, Inorganic Chemistry: Principles of Structure and Reactivity, 4th ed., HarperCollins, New York, USA, 1993 (b) A.M. James, M.P. Lord, Macmillan's Chemical and Physical Data, Macmillan, London, UK, 1992.
32. NIST Chemistry Webbook, http://webbook.nist.gov/chemistry/.
33. For experimental evidence of similar decomposition processes of other acetonitrile metal ion solvates, see A.A. Shvartsburg, Chem. Phys. Lett. 360 (2002) 479.
34. Beyer M., Williams E.R., Bondybey V.E. J. Am. Chem. Soc. 121:1999;1565.