Abstract
CNDO-MO calculations have been made for the tetrahedral MnO −4 ion and the octahedral MnF 4−6 ion using a transferable parameter scheme for manganese. The results show that the orbital levels for both complex ions are consistent with the ligand field approach.
Similar content being viewed by others
References
Dahl, J. P., Ballhausen, C. J.: Advances quant. Chem. 4, 170 (1968).
Basch, H., Viste, A., Gray, H. B.: J. chem. Physics 44, 10 (1966).
Fenske, R. F., Caulton, K. G., Radkte, D. D., Sweeney, C. C.: Inorg. Chem. 5, 960 (1966).
Oleari, L., de Michelis, G., di Sipio, L.: Molecular Physics 10, 111 (1965).
Dahl, J. P., Johansen, H.: Theoret. chim. Acta (Berl.) 11, 8 (1968); 11, 31 (1968).
Becker, C. A. L., Dahl, J. P.: Theoret. chim. Acta (Berl.) 14, 26 (1969).
Pople, J. A., Segal, G. A.: J. chem. Physics 44, 3289 (1966).
Clack, D. W., Hush, N. S., Yandle, J. R.: To be published.
Carlson, K. D., Moser, C.: J. chem. Physics 44, 3259 (1966).
Moser, C., Carlson, K. D., Ludena, E.: J. chem. Physics 43, 2408 (1965).
Carlson, K. D., Nesbet, R. K.: J. chem. Physics 41, 1051 (1964).
Zerner, M., Gouterman, M.: Theoret. chim. Acta (Berl.) 4, 44 (1966).
Watson, R. E.: Physic. Rev. 119, 1934 (1960).
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Clack, D.W., Farrimond, M.S. CNDO-molecular orbital calculations of MnO −4 and MnF 4−6 . Theoret. Chim. Acta 19, 373–376 (1970). https://doi.org/10.1007/BF00527698
Received:
Issue Date:
DOI: https://doi.org/10.1007/BF00527698