References
33
5. See for example (a) G.C. Pimentel, J. Chem. Phys., 19, 446 (1951); (b) R.J. Hach and
R.E. Rundle, J. Amer. Chem. Soc., 73, 4321 (1951); (c) R.E. Rundle, Records Chem.
Progress, 23, 195 (1962); (d) C.A. Coulson, J. Chem. Soc. 1442 (1964).
6. For some pre-1982 descriptions of systems that can involve 3-centre molecular orbitals
for four electrons, see for example (a) N.W. Alcock, Advances in Inorganic and Radiochem., 15, 1 (1972); (b) H.-B. Bürgi, Angewandte Chem. (Int. Ed.) 14, 460 (1975); (c)
L. Jansen and R. Block, Angewandte Chem. (Int. Ed.) 16; (d) T.A. Halgren, L.D.
Brown, D.A. Kleier and W.N. Lipscomb, J. Amer. Chem. Soc., 99, 6793 (1977); (e) E.
Shustorovich, J. Am. Chem. Soc., 100, 7513 (1978); (f) S.S. Shaik, J. Amer. Chem.
Soc., 103, 3692 (1981).
7. L.E. Sutton, Tables of Interatomic Distances, Chemical Society London Special Publications Nos. 11, 18 (1958, 1965).
8. P.H. Turner and A.P. Cox, J. Chem. Soc. Faraday 2, 74, 533 (1978).
9. R.H. Jackson, J. Chem. Soc., 4585 (1962).
10. B.M. Gimarc, Qualitative Molecular Orbital Theory (Benjamin, 1978).
11. G.N. Lewis, J. Amer. Chem. Soc., 38, 762 (1916); see also Valence and the Structure of
Atoms and Molecules (Chemical Catalogue Co., Inc., New York, 1923).
12. I. Langmuir, J. Amer. Chem. Soc., 41, 868, 1543 (1919).
13. (a) R.D. Harcourt, Austral, J. Chem., 22, 279 (1969); (b) ibid, and Sillitoe, Austral. J.
Chem., 27, 691 (1974); (c) ibid. and A.G. Harcourt, J. Chem. Soc., Faraday II, 70, 743
(1974); (d) ibid. and W. Roso, Canad. J. Chem., 56, 1093 (1978); Int. J. Quantum
Chem., 16, 1033 (1979).
14. L. Pauling, (a) Ref. 2, p. 273; (b) J. Chem. Soc. 1461 (1948).
15. L. Pauling, Ref. 2, pp. 185, 271.
16. (a) G.A. Khachkuruzov and I.N. Przhevalskii, Opt. Spectr. (USSR), 46, 586 (1979); (b)
D. Cremer and D. Christen, J. Mol. Spectr. 74, 480 (1979).
17. (a) R.D. Gould and J.W. Linnett, Trans. Faraday Soc., 59, 1001 (1963); (b) J.F. Larcher
and J.W. Linnett, J. Chem. Soc. A, 1928 (1967). See also E.F. Hayes and A.K.Q. Siu, J.
Amer. Chem. Soc., 93, 2090 (1971).
18. (a) W.R. Wadt and W.A. Goddard III, J. Amer. Chem. Soc., 97, 3004 (1975); (b) W.A.
Goddard III and S.P. Walch, J. Amer. Chem. Soc., 97, 5319 (1975); (c) W.A. Goddard
III and B.D. Olafson, Proc. Natl. Acad. Sci. USA, 72, 2335 (1975).
19. P.C. Hiberty and C. Leforestier, J. Amer. Chem. Soc., 100, 2012 (1978).
20. R.D. Harcourt, J. Amer. Chem. Soc., 100, 8060 (1978);101, 5456 (1979).
21. H.A. Bent, Chem. Revs. 68, 587 (1968).
22. R.D. Harcourt, J. Mol. Struct. (THEOCHEM) (a) 684, 167 (2004). (b) 716, 99 (2005).
23. R.D. Harcourt, (a) . J. Phys. Chem. A, 101, 2496, 5962 (1997). (b) in Quantum Chemical Methods in Main-Group Chemistry (T.M. Klapötke and A. Schulz, Wiley 1998),
pp. 217-250.
24. R.D. Harcourt, F.L. Skrezenek, R.M. Wilson and R.H. Flegg, J. Chem. Soc. Faraday
Trans. 2, 82, 495 (1986).
25. W. Wu, Yi-R Mo and Q-E Zhang, Chinese J. Chem. 11, 491 (1993).
26. T.M. Klapötke, J. Li and R.D. Harcourt Inorg. Chim. Acta, 358, 4131 (2005).
27. A. DeBlase, M. Licata and J.M. Galbraith, J. Phys. Chem. A, 112, 12806 (2008).
33
5. See for example (a) G.C. Pimentel, J. Chem. Phys., 19, 446 (1951); (b) R.J. Hach and
R.E. Rundle, J. Amer. Chem. Soc., 73, 4321 (1951); (c) R.E. Rundle, Records Chem.
Progress, 23, 195 (1962); (d) C.A. Coulson, J. Chem. Soc. 1442 (1964).
6. For some pre-1982 descriptions of systems that can involve 3-centre molecular orbitals
for four electrons, see for example (a) N.W. Alcock, Advances in Inorganic and Radiochem., 15, 1 (1972); (b) H.-B. Bürgi, Angewandte Chem. (Int. Ed.) 14, 460 (1975); (c)
L. Jansen and R. Block, Angewandte Chem. (Int. Ed.) 16; (d) T.A. Halgren, L.D.
Brown, D.A. Kleier and W.N. Lipscomb, J. Amer. Chem. Soc., 99, 6793 (1977); (e) E.
Shustorovich, J. Am. Chem. Soc., 100, 7513 (1978); (f) S.S. Shaik, J. Amer. Chem.
Soc., 103, 3692 (1981).
7. L.E. Sutton, Tables of Interatomic Distances, Chemical Society London Special Publications Nos. 11, 18 (1958, 1965).
8. P.H. Turner and A.P. Cox, J. Chem. Soc. Faraday 2, 74, 533 (1978).
9. R.H. Jackson, J. Chem. Soc., 4585 (1962).
10. B.M. Gimarc, Qualitative Molecular Orbital Theory (Benjamin, 1978).
11. G.N. Lewis, J. Amer. Chem. Soc., 38, 762 (1916); see also Valence and the Structure of
Atoms and Molecules (Chemical Catalogue Co., Inc., New York, 1923).
12. I. Langmuir, J. Amer. Chem. Soc., 41, 868, 1543 (1919).
13. (a) R.D. Harcourt, Austral, J. Chem., 22, 279 (1969); (b) ibid, and Sillitoe, Austral. J.
Chem., 27, 691 (1974); (c) ibid. and A.G. Harcourt, J. Chem. Soc., Faraday II, 70, 743
(1974); (d) ibid. and W. Roso, Canad. J. Chem., 56, 1093 (1978); Int. J. Quantum
Chem., 16, 1033 (1979).
14. L. Pauling, (a) Ref. 2, p. 273; (b) J. Chem. Soc. 1461 (1948).
15. L. Pauling, Ref. 2, pp. 185, 271.
16. (a) G.A. Khachkuruzov and I.N. Przhevalskii, Opt. Spectr. (USSR), 46, 586 (1979); (b)
D. Cremer and D. Christen, J. Mol. Spectr. 74, 480 (1979).
17. (a) R.D. Gould and J.W. Linnett, Trans. Faraday Soc., 59, 1001 (1963); (b) J.F. Larcher
and J.W. Linnett, J. Chem. Soc. A, 1928 (1967). See also E.F. Hayes and A.K.Q. Siu, J.
Amer. Chem. Soc., 93, 2090 (1971).
18. (a) W.R. Wadt and W.A. Goddard III, J. Amer. Chem. Soc., 97, 3004 (1975); (b) W.A.
Goddard III and S.P. Walch, J. Amer. Chem. Soc., 97, 5319 (1975); (c) W.A. Goddard
III and B.D. Olafson, Proc. Natl. Acad. Sci. USA, 72, 2335 (1975).
19. P.C. Hiberty and C. Leforestier, J. Amer. Chem. Soc., 100, 2012 (1978).
20. R.D. Harcourt, J. Amer. Chem. Soc., 100, 8060 (1978);101, 5456 (1979).
21. H.A. Bent, Chem. Revs. 68, 587 (1968).
22. R.D. Harcourt, J. Mol. Struct. (THEOCHEM) (a) 684, 167 (2004). (b) 716, 99 (2005).
23. R.D. Harcourt, (a) . J. Phys. Chem. A, 101, 2496, 5962 (1997). (b) in Quantum Chemical Methods in Main-Group Chemistry (T.M. Klapötke and A. Schulz, Wiley 1998),
pp. 217-250.
24. R.D. Harcourt, F.L. Skrezenek, R.M. Wilson and R.H. Flegg, J. Chem. Soc. Faraday
Trans. 2, 82, 495 (1986).
25. W. Wu, Yi-R Mo and Q-E Zhang, Chinese J. Chem. 11, 491 (1993).
26. T.M. Klapötke, J. Li and R.D. Harcourt Inorg. Chim. Acta, 358, 4131 (2005).
27. A. DeBlase, M. Licata and J.M. Galbraith, J. Phys. Chem. A, 112, 12806 (2008).