Three-center four-electron bond

The 3-center 4-electron (3c–4e) bond is a model used to explain bonding in certain hypervalent molecules such as tetratomic and hexatomic interhalogen compounds, sulfur tetrafluoride, the xenon fluorides, and the bifluoride ion.[1][2] It is also known as the Pimentel–Rundle three-center model after the work published by George C. Pimentel in 1951,[3] which built on concepts developed earlier by Robert E. Rundle for electron-deficient bonding.[4][5] An extended version of this model is used to describe the whole class of hypervalent molecules such as phosphorus pentafluoride and sulfur hexafluoride as well as multi-center π-bonding such as ozone and sulfur trioxide.

There are also molecules such as diborane (B2H6) and dialane (Al2H6) which have three-center two-electron (3c–2e) bonds.

  1. ^ Greenwood, Norman N.; Earnshaw, Alan (1997). Chemistry of the Elements (2nd ed.). Butterworth-Heinemann. doi:10.1016/C2009-0-30414-6. ISBN 978-0-08-037941-8. p. 897.
  2. ^ Weinhold, F.; Landis, C. Valency and bonding, Cambridge, 2005; pp. 275-306.
  3. ^ Pimentel, G. C. The Bonding of Trihalide and Bifluoride Ions by the Molecular Orbital Method. J. Chem. Phys. 1951, 19, 446-448. doi:10.1063/1.1748245
  4. ^ Rundle, R. E. (1947-06-01). "Electron Deficient Compounds1". Journal of the American Chemical Society. 69 (6): 1327–1331. doi:10.1021/ja01198a028. hdl:2027/mdp.39015086438440. ISSN 0002-7863.
  5. ^ Rundle, R. E. Electron Deficient Compounds. II. Relative Energies of "Half-Bonds". J. Chem. Phys. 1949, 17, 671–675.doi:10.1063/1.1747367
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