Aromaticity in metallacyclobutadienes from the perspective of the valence bond theory

Luis Rincón

Laboratorio de Química de los metales de transición, Centro de Química, Instituto Venezolano de Investigaciones Cientificas, Apartado 21827, Caracas 1020-A, Venezuela

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Luis Rincón,

Luis Rincón

Laboratorio de Química de los metales de transición, Centro de Química, Instituto Venezolano de Investigaciones Cientificas, Apartado 21827, Caracas 1020-A, Venezuela

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First published: 15 April 1994

https://doi.org/10.1002/qua.560500304

Citations: 3

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Abstract

The valence bond method has been implemented for the study of π-electron systems using a semiempirical CNDO-type Hamiltonian. The algorithm used is based on the Clifford algebra realization of the Rumer–Weyl basis presented by Paldus et al. Using this version of the CNDO–VB approach, the effect of the metal hybridization in the electronic delocalization of metallacyclobutadienes is discussed. © 1994 John Wiley & Sons, Inc.

Bibliography

1 D. L. Cooper, J. Gerratt, and M. Raimondi, Adv. Chem. Phys. 69, 319 (1987);
10.1002/9780470142943.ch6
CAS Google Scholar
D. L. Cooper, J. Gerratt, and M. Raimondi, Chem. Rev. 91, 929 (1991).
10.1021/cr00005a014
CAS Web of Science® Google Scholar
2 G. A. Gallup, R. L. Vance, J. R. Collins, and J. M. Norbeck, Adv. Quantum Chem. 16, 229 (1982).
10.1016/S0065-3276(08)60354-8
CAS Web of Science® Google Scholar
3 R. McWeeny, Int. J. Quantum Chem. 34, 25 (1988).
10.1002/qua.560340105
CAS Web of Science® Google Scholar
4 J. Paldus, S. Rettrup, and C. R. Sarma, J. Mol. Struc. (Theochem) 199, 85 (1989);
10.1016/0166-1280(89)80044-2
Google Scholar
X. Li and J. Paldus, J. Mol. Struct. (Theochem) 229, 249 (1991);
10.1016/0166-1280(91)90149-E
Google Scholar
X. Li and J. Paldus, Int. J. Quantum Chem. 41, 117 (1992).
10.1002/qua.560410112
CAS Web of Science® Google Scholar
5 R. Pauncz, Spin Eigenfunctions (Plenum, New York, 1979).
10.1007/978-1-4684-8526-4
Google Scholar
6 J. Paldus, J. Chem. Phys. 61, 5321 (1974).
10.1063/1.1681883
CAS Web of Science® Google Scholar
7 F. A. Matsen and R. Pauncz, The Unitary Group in Quantum Chemistry (Elsevier, Amsterdam, 1987).
Google Scholar
8 J. A. Pople and D. L. Beveridge, Approximate Molecular Orbital Theory (McGraw-Hill, New York, 1970).
Google Scholar
9 M. Goeppert-Mayer and M. L. Sklar, J. Chem. Phys. 6, 645 (1938).
10.1063/1.1750138
CAS Web of Science® Google Scholar
10 R. C. Bingham, M. J. S. Dewar, and D. H. Lo, J. Am. Chem. Soc. 97, 1285 (1975).
10.1021/ja00839a001
CAS Web of Science® Google Scholar
11 W. A. Goddard III, T. H. Dunning, Jr., W. H. Hunt, and P. J. Hay, Acc. Chem. Res. 6, 368 (1973);
10.1021/ar50071a002
CAS Web of Science® Google Scholar
W. A. Goddard III and L. B. Harding, Annu. Rev. Phys. Chem. 29, 363 (1978);
10.1146/annurev.pc.29.100178.002051
CAS Web of Science® Google Scholar
F. B. Bobrowicz and W. A. Goddard III, in Methods of Electronic Structure Theory, H. F. Scheafer, Ed. (Plenum Press, New York, 1977), pp. 79–127.
10.1007/978-1-4757-0887-5_4
Google Scholar
12 S. Kirkpatrick, C. D. Gellat, Jr., and M. P. Vecchi, Science 220, 671 (1983).
10.1126/science.220.4598.671
CAS PubMed Web of Science® Google Scholar
13 M. J. Filatov, O. V. Gritsenko, and G. M. Zhidomirov, Theor. Chim. Acta 72, 211 (1987).
10.1007/BF00527664
CAS Web of Science® Google Scholar
14 R. McWeeny, Theor. Chim. Acta 73, 115 (1988).
10.1007/BF00528198
CAS Web of Science® Google Scholar
15 A. F. Voter and W. A. Gooddard, III, J. Am. Chem. Soc. 108, 2830 (1986).
10.1021/ja00271a008
CAS Web of Science® Google Scholar
16 S. C. Wright, D. L. Cooper, J. Gerratt, and M. Raimondi, J. Phys. Chem. 96, 7943 (1992).
10.1021/j100199a024
CAS Web of Science® Google Scholar
17 J. P. Collman, L. S. Hegedus, J. R. Norton, and R. G. Finke, Principle and Application of Organotransition Metal Chemistry (University Science Books, Mill Valley, CA, 1987), Chap. 9.
Google Scholar

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Volume50, Issue3

15 April 1994

Pages 189-196

Aromaticity in metallacyclobutadienes from the perspective of the valence bond theory

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Aromaticity in metallacyclobutadienes from the perspective of the valence bond theory

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