Abstract
Extended Hückel calculations are performed for two theoretical models of oxygenated iron porphyrin. In both cases the Pauling geometry is predicted to have the lowest energy and hence to simulate the bonding in oxyhaemoglobin.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
Cullis,A.F., Muirhead,H., Perutz,M.F., Rossmann,M.G., North,A.C.T.: Proc. Roy. Soc. (London) A 265, 161 (1962).
Eicher,H., Trautwein,A.: J. chem. Physics 50, 2540 (1969); Maricic,S., Leigh,J.S., Sunko,D.E.: Nature 214, 462 (1967); Lang,G., Marshall,W.: Proc. physic. Soc. (London) 87, 3 (1966).
Pauling,L.: Nature 203, 182 (1964).
Griffith,J.S.: Proc. Roy. Soc. (London) A 235, 23 (1956).
Viale,R.O., Maggiora,G.M., Ingraham,L.L.: Nature 203, 183 (1964); Zerner,M., Gouterman,M., Kobayashi,H.: Theoret. chim. Acta. (Berl.) 6, 363 (1966).
Wolfsberg,M., Helmholz,L.: J. chem. Physics 20, 837 (1952).
Pauling,L., Coryell,C.D.: Proc. nat. Acad. Sci. 22, 210 (1936).
Ohno,K., Tanabe,Y., Susaki,F.: Theoret. chim. Acta. (Berl.) 1, 378 (1963).
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Halton, M.P. Extended Hückel calculations on the bonding in oxyhaemoglobin. Theoret. Chim. Acta 23, 208–210 (1971). https://doi.org/10.1007/BF00526434
Received:
Issue Date:
DOI: https://doi.org/10.1007/BF00526434