Density Functional Theory Study of Transition-Metal Compounds Containing Metal−Metal Bonds. 2. Molecular Structures and Vibrational Spectra of Dinuclear Tetracarboxylate Compounds of Molybdenum and Rhodium

Journal of the American Chemical Society - Tập 120 Số 14 - Trang 3387-3397 - 1998
F. Albert Cotton1, Xuejun Feng1
1Contribution from the Department of Chemistry and Laboratory for Molecular Structure and Bonding, Texas A&M University, College Station, Texas 77843-3255

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Tài liệu tham khảo

Cotton F. A., 1992, Multiple Bonds between Metal Atoms, 2

Cotton F. A., 1997, J. Am. Chem. Soc., 119, 7514, 10.1021/ja9705351

Parr R. G., 1989, Density Functional Theory of Atoms and Molecules

Seminario J. M., 1995, A Tool for Chemistry

Cotton F. A., 1997, J. Am. Chem. Soc., 119, 7889, 10.1021/ja9715152

Johnson B. G., 1993, J. Chem. Phys., 98, 5612, 10.1063/1.464906

Berces A., 1994, J. Phys. Chem., 98, 13233, 10.1021/j100101a025

Ziegler T., 1985, J. Am. Chem. Soc., 107, 4453, 10.1021/ja00301a014

Vosko S. H., 1980, Can. J. Phys., 58, 1200, 10.1139/p80-159

Becke A. D., 1988, Phys. Rev. A, 38, 3098, 10.1103/PhysRevA.38.3098

Lee C., 1988, Phys. Rev. B, 37, 785, 10.1103/PhysRevB.37.785

Perdew J. P., 1992, Phys. Rev., 45, 13244, 10.1103/PhysRevB.45.13244

Becke A. D., 1993, J. Chem. Phys., 98, 5648, 10.1063/1.464913

Huzinaga S., 1977, J. Chem. Phys., 66, 4245, 10.1063/1.434469

Frisch M. J., Gaussian 94 User's Reference

Ziegler T., 1991, Chem. Rev., 91, 651, 10.1021/cr00005a001

Cotton F. A., 1971, Acta Crystallogr., 27, 1664, 10.1107/S0567740871004527

Cotton F. A., 1976, J. Coord. Chem., 5, 217, 10.1080/00958977608073014

Akhmedov E. L., 1987, Sov. J. Coord. Chem., 13, 273

Clark R. J. H., 1988, J. Chem. Soc., Dalton Trans., 973, 10.1039/dt9880000973

Trexler J. W., 1988, Inorg. Chem., 27, 3265, 10.1021/ic00292a001

Clark R. J. H., 1988, J. Croat. Chem. Acta, 61, 313

Clark R. J. H., 1986, J. Am. Chem. Soc., 108, 518, 10.1021/ja00263a034

Cotton F. A., 1974, Acta Crystallogr., 30, 2768, 10.1107/S0567740874008053