Acetylacetonate (acac) anion in the gas phase: Predicted structures, vibrational spectra, and photodetachment energies

International Journal of Mass Spectrometry

Volumn 185, Issue , 1999, Pages 577-587

  Irikura, Karl K ^a  

^a NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

Author keywords

Ab initio; Anion; Electron affinity (EA); Photoelectron spectrum; Vibrational spectrum

Indexed keywords

EID: 31744437607     PISSN: 13873806     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1387-3806(98)14192-1     Document Type: Article

References (32)

1. F.A. Cotton, and G. Wilkinson Advanced Inorganic Chemistry: A Comprehensive Text 4th ed. 1980 Wiley New York
2. K. Nakamoto, Infrared and Raman Spectra of Inorganic and Coordination Compounds, 5th ed., Vol. B, Wiley, New York, 1997.
3. M.L. Hitchman, and K.F. Jensen Chemical Vapor Deposition: Principles and Applications 1993 Academic London
4. E. Giera, W. Kakolowicz, and J. Rozniatowska Thermochim. Acta 210 1992 41
5. E.H. Jamea, and G. Pilcher Thermochim. Acta 97 1986 77
6. K.J. Cavell, G. Pilcher, J. Chem. Soc., Faraday Trans. 1 73 (1977) 1590.
7. P. Sharpe, and D.E. Richardson J. Am. Chem. Soc. 113 1991 8339
8. J.B. Cumming, and P. Kebarle Can. J. Chem. 56 1978 1
9. P.G. Wenthold, J.B. Kim, and W.C. Lineberger J. Am. Chem. Soc. 119 1997 1354
10. P.G. Wenthold, and W.C. Lineberger J. Am. Chem. Soc. 119 1997 7772
11. P. Weis, P.R. Kemper, and M.T. Bowers J. Phys. Chem. A 101 1997 8207
12. S. Lee, T. Wyttenbach, and M.T. Bowers Int. J. Mass Spectrom. Ion Processes 167 1997 605
13. J.E. Bushnell, P. Matre, P.R. Kemper, and M.T. Bowers J. Chem. Phys. 106 1997 10 153
14. J. Gidden, P.A.M. van Koppen, and M.T. Bowers J. Am. Chem. Soc. 119 1997 3935
15. T. Su, and M.T. Bowers Int. J. Mass Spectrom. Ion Phys. 12 1973 347
16. C. Gonzalez, and H.B. Schlegel J. Phys. Chem. 94 1990 5523
17. K.K. Irikura, "Essential statistical thermodynamics," in Computational Thermochemistry: Prediction and Estimation of Molecular Thermodynamics, ACS Symposium Series 677, K.K. Irikura, D.J. Frurip (Eds.), American Chemical Society, Washington, DC, 1998, p. 402.
18. A.D. Becke J. Chem. Phys. 98 1993 5648
19. P.J. Stephens, F.J. Devlin, C.F. Chabalowski, and M.J. Frisch J. Phys. Chem. 98 1994 11 623
20. M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, J. Cioslowski, B.B. Stefanov, A. Nanayakkara, M. Challacombe, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. González, J.A. Pople, Gaussian 94, Gaussian, Inc., Pittsburgh, PA, 1995.
21. M.W. Schmidt, K.K. Baldridge, J.A. Boatz, S.T. Elbert, M.S. Gordon, J.H. Jensen, S. Koseki, N. Matsunaga, K.A. Nguyen, S.J. Su, T.L. Windus, M. Dupuis, and J.A. Montgomery J. Comput. Chem. 14 1993 1347
22. S. Di Bella, G. Lanza, and I.L. Fragalà J. Chem. Soc., Faraday Trans. 91 1995 2709
23. J. Espinosa-Garcia, F.J. Olivares del Valle, G. Leroy, and M. Sana J. Mol. Struct. 258 1992 315
24. K.S. Pitzer, and W.D. Gwinn J. Chem. Phys. 10 1942 428
25. G. Buemi, C. Gandolfo, J. Chem. Soc., Faraday Trans. 2 85 (1989) 215.
26. S.G. Lias, J.E. Bartmess, J.F. Liebman, J.L. Holmes, R.D. Levin, W.G. Mallard, J. Phys. Chem. Ref. Data 17 (1988) Suppl. 1.
27. G.B. Ellison, P.C. Engelking, and W.C. Lineberger J. Am. Chem. Soc. 100 1978 2556
28. P.G. Wenthold, M.L. Polak, and W.C. Lineberger J. Phys. Chem. 100 1996 6920
29. P.C. Engelking, G.B. Ellison, and W.C. Lineberger J. Chem. Phys. 69 1978 1826
30. G.B. Ellison, P.C. Engelking, and W.C. Lineberger J. Phys. Chem. 86 1982 4873
31. W. von Niessen, J. Schirmer, and L.S. Cederbaum Comput. Phys. Rep. 1 1984 57
32. V.G. Zakrzewski, and J.V. Ortiz J. Phys. Chem. 100 1996 13 979