Increased valence or electronic hypervalence for symmetrical three-centre molecular orbital configurations

Australian Journal of Chemistry

Volumn 60, Issue 9, 2007, Pages 691-695

  Harcourt, Richard D ^a  

^a UNIVERSITY OF MELBOURNE   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE CARRIERS; ELECTRONS; INTEGRAL EQUATIONS; VALENCE BANDS;

ELECTRON-PAIR BONDING; ELECTRONIC HYPERVALENCE; THREE-CENTRE BONDING;

MOLECULAR ORBITALS;

EID: 34548574834     PISSN: 00049425     EISSN: None     Source Type: Journal    
DOI: 10.1071/CH07189     Document Type: Article

References (61)

1. (a) R. D. Harcourt, J. Mol. Struct. Theochem. 2004, 684, 167. doi:10.1016/J.THEOCHEM.2004.04.068
2. (b) R. D. Harcourt, J. Mol. Struct. Theochem. 2005, 716, 99. doi:10.1016/J.THEOCHEM.2004.08.064. In the last paragraph, change 3-electron 2-centre to 2-electron 3-centre.
3. (a) R.D.Harcourt, Aust. J. Chem. 2005, 58, 753.doi:10.1071/CH05180
4. (b) R. D. Harcourt, Trends. Phys. Chem. 2006, 11, 79.
5. M. Green, J. W. Linnett, J. Chem. Soc. 1960, 4959. doi:10.1039/JR9600004959
6. R. D. Harcourt, Europ. J. Inorg. Chem. 2000, 1901.doi:10.1002/1099-0682(200009)2000:9<1901::AID-EJIC1901>3.3.CO;2-E
7. R. D. Harcourt, J. Am. Chem. Soc. 1978, 100, 8060. doi:10.1021/JA00494A005
8. K. B. Wiberg, Tetrahedron 1968, 24, 1083. doi:10.1016/0040-4020(68)88057-3
9. D. R. Armstrong, P. G. Perkins, J. J. P. Stewart, J. Chem. Soc., Dalton Trans. 1973, 838.
10. S. G. Semyonov, in Theory of Valency in Progress (Ed. V. I. Kuznetsov; translated from Russian by A. Rosinkin) 1980, p. 151, and ref. [1] therein (Mir: Moscow).
11. I. Mayer, J. Comput. Chem. 2007, 25, 204, and refs therein. doi:10.1002/JCC20494
12. (a) R. Ponec, D. L. Cooper, Int. J. Quantum Chem. 2004, 97, 1002. (b) and refs [3-9] therein.
13. (a) R. D. Harcourt, J. Mol. Struct. Theochem. 2002, 617, 2002.
14. (b) R. D. Harcourt, J. Mol. Struct. Theochem. 2003, 634, 265. doi:10.1016/S0166-1280(03)00376-2
15. (a) V. Bachler, Theor. Chem. Acc. 1997, 92, 223.
16. (b) and refs [55,56] therein.
17. C.A. Coulson, J. Chem. Soc. 1964, 1444.
18. R. D.Harcourt, A. G.Harcourt, J. Chem. Soc., Faraday 21974, 70, 743.
19. R. D. Harcourt, in Quantum Chemical Methods in Main-Group Chemistry (Eds T. M. Klapötke, A. Schulz) 1998, p. 242 (Wiley: Chichester).
20. R. D. Harcourt, J. Chem. Soc., Farad. Trans. 1991, 87, 1089. doi:10.1039/FT9918701089
21. D. M. Kirchhoff, J. Farren, J. W. Linnett, J. Chem. Phys. 1965, 42, 1410. doi:10.1063/1.1696131
22. D. M. Hirst, J. W. Linnett, J. Chem. Soc. 1962, 1035, 3844. doi:10.1039/JR9620003844
23. D. M. Hirst, J. W. Linnett, J. Chem. Phys. 1965, 43, S74. doi:10.1063/1.1701516
24. R. D. Gould, J. W. Linnett, Trans. Farad. Soc. 1963, 59, 1001. doi:10.1039/TF9635901001
25. H. C. Bowen, J. W. Linnett, Trans. Farad. Soc. 1964, 60, 1185. doi:10.1039/TF9646001185
26. J. Bilham, J. W. Linnett, Nature 1964, 201, 1323. doi:10.1038/2011323A0
27. R. D. Harcourt, Qualitative Valence Bond Descriptions of Electron-Rich Molecules, Lecture Notes in Chemistry 1982, Vol. 30 (Springer: Berlin). A 2003 update is available from the author.
28. T. A. Halgren, L. D. Brown, D. A. Kleier, W. N. Lipscomb, J. Am. Chem. Soc. 1977, 99, 6793. doi:10.1021/JA00463A002
29. R. D. Harcourt, J. Mol. Struct. Theochem. 1992, 259, 155. doi:10.1016/0166-1280(92)87011-N
30. R. J. Gillespie, P. L. A. Popelier, Chemical Bonding and Molecular Geometry 2001, p. 228 (Oxford University Press: Oxford).
31. J. M. Molina, J. A. Dobado, Theor. Chem. Acc. 2001, 105, 328.
32. M. L. Munzarova, R. Hoffmann, J. Am. Chem. Soc. 2002, 124, 4787. doi:10.1021/JA010897F
33. R. J. Gillespie, B. Silvi, Coord. Chem. Rev. 2002, 233-234, 53. doi: 10.1016/S0010-8545(02)00102-9
34. S. Noury, B. Silvi, R. J. Gillespie, Inorg. Chem. 2002, 41, 2164. doi:10.1021/IC011003V
35. (a) X.Sun, Chem. Educator 2002, 7, 11. doi:10.1007/S00897010525A
36. (b) X. Sun, Chem. Educator 2002, 7, 261. doi:10.1007/S00897020598A
37. Y.-S. Cheung, C.-Y. Ng, S.-W. Chiu, W.-K. Li, J. Mol. Struct. Theochem. 2003, 623, 1. doi:10.1016/S0166-1280(02)00589-4
38. (a) P. D. Livant, D. J. D. Northcott, Y. Shen, T. R. Webb, J. Org. Chem. 2004, 69, 6564. doi:10.1021/JO040199O
39. (b) and refs [5,6] therein.
40. R. Ponec, G. Yuzhakov, D. L. Cooper, Theor. Chem. Acc. 2004, 112, 419. doi:10.1007/S00214-004-0597-9
41. M. Tramsek, B. Zemva, Acta Chim. Slov. 2006, 53, 105.
42. (a) W. B. Jensen, J. Chem. Educ. 2006, 83, 1751.
43. (b) and refs therein.
44. (a) T. A. Mitchell, D. Finocchio, J. Kua, J. Chem. Educ. 2007, 84, 629.
45. (b) and refs therein.
46. A. M. Oles, P. Fulde, M. C. Böhm, Z. Phys. B 1989, 76, 239. doi:10.1007/BF01312691
47. G. C. Pimentel, J. Chem.Phys. 1951, 19, 446. doi:10.1063/1.1748245
48. R. J. Hach, R. E. Rundle, J. Am. Chem. Soc. 1951, 73, 4321. doi:10.1021/JA01153A086
49. R. E. Rundle, Rec. Chem. Prog. 1962, 23, 195.
50. R. D. Harcourt, Aust. J. Chem. 1969, 22, 279.
51. R. D. Harcourt, J. F. Sillitoe, Aust. J. Chem. 1974, 27, 691.
52. R. D. Harcourt, J. Mol. Struct. 1993, 300, 245. doi:10.1016/0022-2860(93)87022-2
53. R. D. Harcourt, Int. J. Quantum Chem. 1996, 60, 553. doi:10.1002/ (SICI)1097-461X(1996)60:1<553::AID-QUA54>3.0.CO;2-8
54. (a) R. D. Harcourt, T. M. Klapötke, J. Fluorine Chem. 2003, 123, 5. doi:10.1016/S0022-1139(03)00012-5
55. (b) R. D. Harcourt, T. M. Klapötke, J. Fluorine Chem. 2003, 123, 273. doi:10.1016/S0022-1139(03)00165-9
56. R. D. Harcourt, T. M. Klapötke, Trends. Inorg. Chem. 2006, 9, 11.
57. P. Karafiloglou, R. D. Harcourt, J. Mol. Struct. Theochem. 2005, 129, 155. doi:10.1016/J.THEOCHEM.2005.03.019
58. (a) M. S. de Giambiagi, M. Giambiagi, J. Herrera, Z. Naturforsch. 1994, 49a, 754.
59. (b) and refs [2,5] therein.
60. (c) C. G. Bollini, M. Giambiagi, M. S. de Giambiagi, A. Paiva de Figueiredo, Struct. Chem. 2001, 12, 113.
61. A. B. Sannigrahi, T. Kar, J. Mol. Struct. Theochem. 2000, 496, 1. doi:10.1016/S0166-1280(99)00339-5