Abstract
Electronic absorption spectra of the molecules MoOCl4 and WOCl4 have been measured and their electronic structure has been calculated on the basis of the SCF-Xα-SW theory in the overlapping atomic sphere model. Ionisation potentials and allowed optical transition energies have been found in the transition state approximation. The interpretation of the electronic absorption spectra of gaseous MoOCl4 and WOCl4 is given.
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Jasinski, J. P., Holt, S. L., Wood, J. H., Asprey, L. B.: J. Chem. Phys.63, 757 (1975)
Jasinski, J. P., Holt, S. L., Wood, J. H., Moskowitz, J. W.: J. Chem. Phys.63, 1429 (1975)
Jasinski, J. P., Holt, S. L.: J. Chem. Soc., Faraday Trans. II 2002 (1975)
Jasinski, J. P., Holt, S. L.: Inorg. Chem.14, 1267 (1975)
Johnson, K. H.: Adv. Quantum Chem.7, 143 (1973).
Herman, F., Williams, A. R., Johnson, K. H.: J. Chem. Phys.61, 3508 (1974)
Messmer, R. P., Salahub, D. R.: J. Chem. Phys.65, 779 (1976)
Salahub, D. R., Messmer, R. P., Johnson, K. H.: Mol. Phys.31, 529 (1976)
Iijima, K., Shibata, S.: Chem. Lett. (Jap.) 1033 (1972)
Norman, J. G.: J. Chem. Phys.61, 4630 (1974)
Norman, J. G.: Mol. Phys.31, 1191 (1976)
Schwarz, K.: Phys. Rev.B5, 2466 (1972)
Rösch, N., Smith, V. H., Whangbo, M. H.: J. Am. Chem. Soc.96, 5984 (1974)
Rösch, N., Smith, V. H., Whangbo, M. H.: Inorg. Chem.15, 1968 (1976)
Foti, A. E., Smith, V. H., Kishner, S., Gopinathan, M. S., Whitehead, M. A.: Mol. Phys.35, 111 (1978)
Case, D. A., Karplus, M.: Chem. Phys. Letters39, 33 (1976)
Barraclough, C. G., Kew, D. W.: Aust. J. Chem.23, 2387 (1970)
Singleton, O. L., Stafford, F. E.: Inorg. Chem.11, 1208 (1972)
Schularev, S. A., Suvorov, A. V.: Zhur. Neorg. Khim.6, 1488, (1961)
Shchularev, S. A., Suvorov, A. V.: Vestnik Leningrad. Univ., Ser. Fiz. i Khim.16, 87 (1961)
Shchukarev, S. A., Novikov, G. I., Suvorov, A. V., Baev, A. K.: Zhur. Neorg. Khim.3, 2630 (1958)
Oppermann, H.: Z. Anorg. Allg. Chemie383, 1 (1971)
Kovba, V. M.: thesis, Moscow State University 1976
Larson, M. L., Moore, F. W.: Inorg. Chem.5, 801 (1966)
Takuma, T., Kawakubo, S.: Nippon Kagaku Kaishi 865 (1972)
Slater, J. C.: Adv. Quantum Chem.6, 1 (1972)
Ellis, D. E., Rosen, A.: Z. PhysikA283, 3 (1977)
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Topol, I.A., Stepanov, N.F. & Kovba, V.M. Electronic structure and electronic absorption spectra of molybdenum and tungsten oxotetrachlorides. Theoret. Chim. Acta 56, 297–306 (1980). https://doi.org/10.1007/BF00552593
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DOI: https://doi.org/10.1007/BF00552593