By R D Shannon
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II. 15 and II. 16, and Hyp. 4, the "conservation of orbitals" through Thms. 2 gives the result: The total number of anti-bonding A--C MOs per formula unit is ~ cjrj. (Cor. 1) i Hyp. 4 and the consequent Cor. 1 merely generalize the intuitively acceptable idea that bonding states are associated with anions and anti-bonding states with cations. However, the energetic interpretation may be misleading and must certainly not be projected back into Hyp. 4 and Cot. 1, which concern only the number, not the kind of VAOs involved.
Phys. 48, 990 (1968). , Collomb, ,4, ]oubert, J. , Shannon, R. D. : J. Solid St. Chem. 71, to be published (1974). , Thomas, W. J. : J. Chem. Phys. 24, 439 (1956). , ,4xtmann, R. , Hurley, J. W. : Chem. Phys. Letters 2, 673 (1968). , Hirahara, E. : J. Phys. , Japan 21, 1447 (1966). , Marshall, W. : Proc. Phys. Soc. 86, 561 (1965). : Compt. Rend. 263B, 184 (1966). Lindgard, P. , Marshall, W. : J. Phys. C. (Solid State Physics) 2, 276 (1969). Longo, J. , Ka]alas, J. ,4. : J. Solid St. Chem. 1, 103--108 (1969).
J. Chem. Phys. 48, 990 (1968). , Collomb, ,4, ]oubert, J. , Shannon, R. D. : J. Solid St. Chem. 71, to be published (1974). , Thomas, W. J. : J. Chem. Phys. 24, 439 (1956). , ,4xtmann, R. , Hurley, J. W. : Chem. Phys. Letters 2, 673 (1968). , Hirahara, E. : J. Phys. , Japan 21, 1447 (1966). , Marshall, W. : Proc. Phys. Soc. 86, 561 (1965). : Compt. Rend. 263B, 184 (1966). Lindgard, P. , Marshall, W. : J. Phys. C. (Solid State Physics) 2, 276 (1969). Longo, J. , Ka]alas, J. ,4. : J. Solid St. Chem.