Abstract
In the first part, a topological characterization of various zeolite frameworks is performed on the basis of the Hamiltonian graph. It affords a simple representation of the framework connectivity, and presents some possibility of the classification as well as the prediction of unknown frameworks. In the second part, a simple and direct method based on the connectivity matrix is presented, by which all the possible Al distributions in a given framework are derived exhaustively under the restriction of Loewenstein's rule. An example of Al preference site determination is applied for zeolite ZSM-5 and compared with the result by the SCF-MO method.
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References
W.M. Meier, in:Molecular Sieves (Soc. Chem. Ind., London, UK, 1968), p. 10.
W.M. Meier, in:Proc. 7th Int. Zeolite Conf, Tokyo, ed. Y. Murakami, A. Iizima and J.W. Ward (Kodansha, Elsevier, Japan, 1986), p. 13.
M. Sato, J. Phys. Chem. 91 (1987)4675.
W.M. Meier and H.J. Moeck, J. Sol. State Chem. 27 (1979)349.
W.M. Meier and D.H. Olson,Atlas of Zeolite Structure Types, 2nd ed. (International Zeohte Association, Butterworths, USA, 1987).
M. Sato and T. Ogura, Chem. Lett. (1980)1381.
M. Sato,Proc. 6th Int. Zeolite Conf., Reno, ed. D. Olson and A. Bisio (Butterworths, UK, 1983), p. 851.
F. Harary,Graph Theory (Addison-Wesley, 1972).
G. von Engelhardt, U. Louse, E. Lippma, M. Tarmak and M. Magi, Z. Anorg. Allg. Chem. 482 (1981)49.
S. Ramdas, J.M. Thomas, J. Klinowski, C.A. Fyfe and J.S. Hartman, Nature 292 (1981)228.
M.T. Melchior, D.E.W. Vaughan and A.J. Jacobson, J. Amer. Chem. Soc. 104 (1982)4859.
A.W. Peters, J. Phys. Chem. 86 (1982)3489.
J. Klinowski, S. Ramdas, J.M. Thomas, C.A. Fyfe and J.S. Hartman, J. Chem. Soc. Faraday Trans. 2, 78 (1982)1025.
B. Beagly, J. Dwyer, F.R. Fitch, R. Mann and J. Walters, J. Phys. Chem. 88 (1984)1744.
A.J. Vega, in:Intrazeolite Chemistry (ACS Symposium Series 218), ed. G.D. Stucky and F.G. Dwyer (Americal Chemical Society, 1983), p. 217.
M.T. Melchior, Intrazeolite Chemistry (ACS Symposium Series 218), ed. G.D. Stucky and F.G. Dwyer (Americal Chemical Society, 1983), p. 243.
S. Beran and J. Dubsky, J. Phys. Chem. 83 (1979)2538.
W.J. Mortier and P. Geering, J. Phys. Chem. 84 (1980)1982.
S. Beran, Z. Phys. Chem. 123 (1980)129.
E.C. Hass and P.G. Mezey, J. Mol. Struct. 87 (1982)261.
J.G. Fripiat, F. Berger-Andre, J.-M. Andre and E.G. Derouane, Zeolites 3 (1983)306.
S. Beran, Z. Phys. Chem. 137 (1983)89.
J.G. Fripiat, P. Galet, J. Delhalle, J.M. Andre, J.B. Nagy and E.G. Derouane, J. Phys. Chem. 89 (1985)1932.
E.G. Derouane and J.G. Fripiat, Zeolites 5 (1985)165.
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Sato, M. Hamiltonian graph representation of zeolite frameworks and Si, Al ordering in the framework. J Math Chem 7, 341–352 (1991). https://doi.org/10.1007/BF01200831
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DOI: https://doi.org/10.1007/BF01200831