摘要: The quantity (I+s2), the sum of ionicity and s hybridization, has been calculated from nuclear quadrupole coupling data for 24 alkyl halides. estimated independently values ex, effective charge on halogen. average derived s2, amount character in hybrid halogen bonding orbital, are 13.6% carbon‐chlorine bonds, 8.6% carbon‐bromine 1.8% carbon‐iodine bonds.
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B. P. Dailey, C. H. Townes, The Ionic Character of Diatomic Molecules The Journal of Chemical Physics. ,vol. 23, pp. 118- 123 ,(1955) , 10.1063/1.1740508
T. P. Das, E. L. Hahm, D. J. E. Ingram, Nuclear Quadrupole Resonance Spectroscopy Physics Today. ,vol. 12, pp. 40- 42 ,(1959) , 10.1063/1.3060809
C. H. Townes, B. P. Dailey, Determination of Electronic Structure of Molecules from Nuclear Quadrupole Effects The Journal of Chemical Physics. ,vol. 17, pp. 782- 796 ,(1949) , 10.1063/1.1747400
Richard P. Smith, Earl M. Mortensen, The Inductive Effect and Chemical Reactivity. IV. Dipole Moments of Halogen Derivatives of Aliphatic Hydrocarbons1 Journal of the American Chemical Society. ,vol. 78, pp. 3932- 3936 ,(1956) , 10.1021/JA01597A019
Richard P. Smith, Taikyue Ree, John L. Magee, Henry Eyring, The Inductive Effect and Chemical Reactivity. I. General Theory of the Inductive Effect and Application to Electric Dipole Moments of Haloalkanes Journal of the American Chemical Society. ,vol. 73, pp. 2263- 2268 ,(1951) , 10.1021/JA01149A101