Abstract
The electronic structure of an isolated Ca@C60 molecule was probed by photoelectron spectroscopy (PES) of Ca@C −60 , generated by laser desorption of a preformed Ca@C60/fullerene thin film. The PES spectrum of Ca@C60 was found to be similar to that of C −60 , except that Ca@C60 has an electron affinity of 3.0 eV, about 0.3 eV higher than that of C60. The spectrum suggests that Ca atom donates its two 4s electrons to the C60 t lu lowest unoccupied molecular orbital. Thus, the interaction between the central Ca atom and C60 is quite ionic, and Ca@C60 can essentially be expressed as Ca2+@C 2−60 .
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
Reference
Kratschmer, W., Lamb, L.D., Fostiropoulos, K., Huffman, D.R.: Nature347, 354 (1990)
Chai, Y., Guo, T., Jin, C., Haufler, R.E., Chibante, L.P.F., Fure, J., Wang, L., Alford, J.M., Smalley, R.E.: J. Phys. Chem.95, 7564 (1991)
Johnson, R.D., de Vries, M.S., Salem, J., Bethune, D.S., Yannoni, C.S.: Nature355, 239 (1992)
Weaver, J.H., Chai, Y., Kroll, G.H., Jin, C., Ohno, T.R., Haufler, R.E., Guo, T., Alford, J.M., Conceicao, J., Chibante, L.P.F., Jain, A., Palmer, G., Smalley, R.E.: Chem. Phys. Lett.190, 460 (1992)
Theoretical calculations have shown that ionization potentials for alkaline-C60 endohedral complexes are all considerably lower than that of C60. See Ref. 10(b)
Cheshnovsky, O., Yang, S.H., Pettiette, C.L., Craycraft, M.J., Smalley, R.E.: Rev. Sci. Instrum.58, 2131 (1987)
Wang, L.S., Conceicao, J., Jin, C., Smalley, R.E.,: Chem. Phys. Lett.182, 5 (1991)
AXUM: Technical Graphics and Data Analysis. TriMetrix, Inc., Seattle, 1989
Wang, L.S., Cheshnovsky, O., Smalley, R.E., Carpenter, J.D., Hwu, S.-J.: J. Chem. Phys.96, 4028 (1992)
Rosen, A., Wastberg, B.: J. Am. Chem. Soc.110, 8701 (1988);
Wasteberg, Rosen, R.: Physica Scripta44, 276 (1991)
Chang, A.H.H., Ermler, W.C., Pitzer, R. M.: J. Chem. Phys.94, 5004 (1991)
Cioslowski, J., Fleischmann, E.D.: J. Chem. Phys.94, 3730 (1991).
Scuseria, G.E. to be published, 1992
de Coulon, V., Martins, J.L., J.L. Reuse, J.L.: Phys. Rev. B, submitted, 1991
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Wang, LS., Alford, J.M., Chai, Y. et al. Photoelectron spectroscopy and electronic structure of Ca@C60 . Z Phys D - Atoms, Molecules and Clusters 26 (Suppl 1), 297–299 (1993). https://doi.org/10.1007/BF01425696
Received:
Issue Date:
DOI: https://doi.org/10.1007/BF01425696