Abstract
This paper reviews the results of electronic structure studies of a number of typical members of borane series by X-ray and X-ray photoelectron spectroscopy using quantum chemical calculations. Fragment analysis of the molecular orbital structure is given. The nature of chemical interaction in boron cluster compounds is studied on models: simple molecules NH3, BH3, and BF3 and their adducts NH3⋅BH3 and NH3⋅BF3⋅. The electronic structure of B10H12L2 type compounds with Lewis bases L = NH3, (CH3)2S, (C6H5)3P is analyzed. The complexes are considered in terms of the concept of donor–acceptor interactions between the fragments. The donor–acceptor bond has contributions from both occupied and vacant acceptor orbitals. X-ray photoelectron data on the charged states of atoms in the compounds are overviewed. Electron distribution in complex compounds with transition metals [(1,2-B9C2H11)2M]–, M = FeIII, CoIII, NiIII, and NiIV and chain type polycobaltocarborane anions {[(3)-1,2-B9C2H11]2Co n [(3,6)-1,2-B8C2H10]n-1}n–, n = 2-7, is considered.
Similar content being viewed by others
References
T. A. Halgren, D. A. Kleier, J. H. Hall, et al., J. Am. Chem. Soc., 100, No. 21, 6595-6608 (1978).
J. H. Hall, Jr., D. A. Dixon, D. A. Kleier, et al., ibid., 97, No. 15, 4202-4213 (1975).
D. A. Dixon, D. A. Kleier, T. A. Halgren, and W. N. Lipscomb, ibid., 96, No. 7, 2293-2295 (1974).
R. B. King, Izv. Ross. Akad. Nauk, Ser. Khim., No. 8, 1353-1360 (1993).
K. Wittel and S. P. McGlynn, Chem. Rev., 77, No. 5, 745-771 (1977).
D. S. Urch and L. N. Mazalov, Chem. Brit., 30, No. 10, 832-835 (1994).
A. Meisel, H. Leonhardt, and R. Szargan, X-Ray Spectra and Chemical Bonding [in Russian], Naukova Dumka, Kiev (1981).
L. N. Mazalov, V. D. Yumatov, V. V. Murakhtanov, et al., X-Ray Spectra of Molecules [in Russian], Nauka, Novosibirsk (1977).
L. N. Mazalov and V. D. Yumatov, Electronic Structure of Extractants [in Russian], Nauka, Novosibirsk (1984).
G. G. Furin, A. V. Zibarev, L. N. Mazalov, and V. D. Yumatov, Electronic Structure of Fluoroorganic Compounds [in Russian], Nauka, Novosibirsk (1988).
T. M. Zimkina and A. S. Vinogradov, Izv. Akad. Nauk SSSR, Ser. Fiz., 36, No. 2, 248-254 (1972).
A. P. Sadovskii and L. I. Nasonova, Zh. Strukt. Khim., 18, No. 4, 673-676 (1977).
V. D. Yumatov, V. V. Murakhtanov, V. V. Volkov, et al., Zh. Neorg. Khim., 40, No. 1, 131-138 (1995).
V. A. Fomichev, Fiz. Tverd. Tela, 9, No. 11, 3167-3171 (1967).
M. S. Nakhmanson and V. I. Baranovskii, Teor. Éksp. Khim., 7, No. 1, 15-21 (1971).
S. V. Nekipelov, V. N. Akimov, and A. S. Vinogradov, Opt. Spektrosk., 64, No. 4, 817-821 (1988).
E. Ishiguro, S. Iwata, Y. Suzuki, et al., J. Phys. B: Atom. Mol. Phys., 15, No. 12, 1841-1854 (1982).
18. K.-H. Hallmeier, R. Szargan, A. Meisel, et al., Spectrochim. Acta, 37A, No. 12, 1049-1053 (1981).
W. H. E. Schwarz, L. Mensching, K. H. Hallmeier, and R. Szargan, Chem. Phys., 82, Nos. 1/2, 57-65 (1983).
A. P. Hitchcock and D. C. Mancini, J. Electron. Spectrosc. Relat. Phenom., 67, No. 1, 1-132 (1994).
J. Arber and D. S. Urch, International Conference on X-Ray and Inner-Shell Processes in Atoms, Molecules, and Solids, Abstracts, Part 1, Leipzig (1984), pp. 17-18.
N. T. Kuznetsov (ed.), Inorganic Hydride Chemistry [in Russian], Nauka, Moscow (1990), pp. 67-81.
V. D. Yumatov, E. A. Il'inchik, V. V. Murakhtanov, et al., Zh. Neorg. Khim., 38, No. 3, 423-427 (1993).
V. D. Yumatov, V. V. Murakhtanov, V. V. Volkov, et al., ibid., 43, No. 10, 1677-1682 (1998).
V. D. Yumatov, E. A. Il'inchik, V. V. Murakhtanov, et al., 29th Colloquium Spectroscopicum Internationale. Book of Abstracts, Leipzig (1995), p. 409.
V. V. Volkov, E. A. Il'inchik, G. F. Khudorozhko, et al., Izv. Akad. Nauk, Ser. Khim., No. 10, 2248-2254 (1985).
V. V. Murakhtanov, T. M. Polyanskaya, and V. V. Volkov, Zh. Strukt. Khim., 37, No. 4, 652-663 (1996).
L. N. Mazalov, V. V. Volkov, S. Ya. Dvurechenskaya, and L. I. Nasonova, Zh. Neorg. Khim., 23, No. 7, 1640-1643 (1982).
V. V. Volkov, E. A. Il'inchik, L. N. Mazalov, et al., Izv. Akad. Nauk SSSR, Ser. Khim., No. 7, 1640-1643 (1982).
V. I. Nefedov, X-Ray Photoelectron Spectroscopy of Chemical Compounds. Handbook [in Russian], Khimiya, Moscow (1984).
D. N. Hendrickson, J. M. Hollander, and W. L. Jolly, Inorg. Chem., 9, No. 3, 612-615 (1970).
D. A. Allison, G. Johansson, C. J. Allan, et al., J. Electron. Spectrosc. Relat. Phenom., 1, No. 2, 269-283 (1972/73).
W. M. Riggs, Anal. Chem., 44, No. 4, 830-832 (1972).
L. O. Pont, A. R. Siedle, M. S. Lazarus, and W. L. Jolly, Inorg. Chem., 13, No. 2, 483 (1974).
H. Von Binder, E. Fluck, S. Hermanek, and J. Plesek, Z. Anorg. Allg. Chem., 433, 26-34 (1977).
K. Kimura, S. Katsumata, Y. Achiba, et al., Handbook of HeI Photoelectron Spectra of Fundamental Organic Molecules, Japan Scientific Societies Press, Tokyo (1981).
W. L. Jolly, K. D. Bomben, and C. J. Eyermann, Atom. Data Nucl. Data Tables, 31, No. 3, 433-493 (1984).
V. N. Akimov, A. S. Vinogradov, and A. V. Zhadenov, Opt. Spektrosk., 65, No. 2, 349-353 (1988).
H. Hosoya, K. Morokuma, S. Yamabe, et al., J. Mol. Struct. (Theochem), 71, No. 1, 1-281 (1991).
D. R. Lloyd and N. Lynaugh, J. Chem. Soc., Faraday Trans. II, 68, No. 6, 947-958 (1972).
V. V. Murakhtanov, Zh. Strukt. Khim., 33, No. 5, 14-19 (1992).
V. D. Yumatov, V. V. Murakhtanov, N. F. Salakhutdinov, et al., Zh. Strukt. Khim., 28, No. 5, 73-80 (1987).
J. N. Francis and M. F. Hawthorne, Inorg. Chem., 10, No. 4, 863-864 (1971).
D. A. Brown, M. O. Fanning, and N. J. Fitzpatrick, ibid., 17, No. 6, 1620-1623 (1978).
R. J. Wiersema and M. F. Hawthorne, J. Am. Chem. Soc., 96, No. 3, 761-769 (1974).
R. N. Grimes (ed.), Metal Interactions with Boron Clusters, Plenum, New York (1982), pp. 24, 241.
W. H. Knoth, H. C. Miller, J. C. Sauer, et al., Inorg. Chem., 3, No. 2, 159-167 (1964).
R. D. Dobrott and W. N. Lipscomb, J. Chem. Phys., 37, No. 8, 1779-1784 (1962).
E. A. Il'inchik, V. V. Volkov, O. V. Volkov, et al., “Comparative studies of the electronic structure of borane and thioborane clusters,” Preprint No. 90-05, Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences (1990).
E. Cartmell and G. W. A. Fowles, Valency and Molecular Structure, Butterworths, London (1977).
E. A. Il'inchik, V. V. Volkov, and O. V. Volkov, Zh. Strukt. Khim., 40, No. 2, 358-371 (1999).
S. Ya. Dvurechenskaya, V. V. Volkov, I. I. Gorbacheva, and N. D. Krivosheeva, Izv. Sib. Otd. Akad. Nauk SSSR, Ser. Khim. Nauk, 1, No. 2, 74-80 (1983).
J. N. Murrell, S. F. A. Kettle, and J. M. Tedder, Valence Theory Wiley, New York (1965).
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Yumatov, V.D., Il'inchik, E.A., Mazalov, L.N. et al. X-Ray and X-ray Photoelectron Spectroscopy Studies of the Electronic Structure of Borane Derivatives. Journal of Structural Chemistry 42, 281–295 (2001). https://doi.org/10.1023/A:1010515402114
Issue Date:
DOI: https://doi.org/10.1023/A:1010515402114