The Role of Nonbonding Orbitals, s Mixing, and d-Orbital Participation in Hypervalent Molecules

Journal of the American Chemical Society

Volumn 94, Issue 4, 1972, Pages 1370-1371

  Musher, Jeremy I ^a,b  

^a YESHIVA UNIVERSITY   (United States)

^b HEBREW UNIVERSITY OF JERUSALEM   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0007237206     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja00759a063     Document Type: Article

References (13)

1. J. I. Musher, Angew. Chem., Int. Ed. Engl., 8, 54 (1969).
2. F. A. Gianturco, C. Guidotti, U. Lamanna, and R. Moccia, Chem. Phys. Lett., 10, 269 (1971).
3. H. Johansen, Chem. Phys. Lett., 11, 466 (1971).
4. B. Rods, cited in ref 2.
5. R. Hoffmann, J. M. Howell, and E. L. Muetterties, J. Amer. Chem. Soc., to be published.
6. A. Rank, L. C. Allen, and K. Mislow, J. Amer. Chem. Soc., to be published.
7. D. P. Santry and G. A. Segal, J. Chem. Phys., 47, 158 (1967).
8. 7a
9. NOTE ADDED IN PROOF For some detailed calculations showing explicitly the nonbonding orbitals and the role of d orbitals in accord with the views expressed here, see R. D. Brown and J. B. Peel, Aust. J. Chem., 21, 2589, 2605, 2617 (1968).
10. K. S. Pitzer, Science, 139, 414 (1963).
11. J. I. Musher, Science, 141, 736 (1963). The essential neglect of d orbitals was first discussed in the theoretical sequel to this paper entitled “Nonorthogonal Hybrid Atomic Orbitals,” unpublished, 1963.
12. T. L. Barr and E. R. Davidson, Phys. Rev, A, 1, 644 (1970).
13. M. A. Ratner and J. R. Sabin, J. Amer. Chem. Soc., 93, 3542 (1971).