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Ionic-covalent transition long-range

In a similar fashion the bonding in H2 might be formally regarded as a complementary pair of one-electron donor-acceptor interactions, one in the ot (spin up ) and the other in the 3 (spin down ) spin set.8 In the long-range diradical or spin-polarized portion of the potential-energy curve, the electrons of ot and (3 spin are localized on opposite atoms (say, at on HA and 3 on HB), in accordance with the asymptotic dissociation into neutral atoms. However as R diminishes, the ot electron begins to delocalize into the vacant lsB(a) spin-orbital on HB, while (3 simultaneously delocalizes into Isa on HA, until the ot and (3 occupancies on each atom become equalized near R = 1.4 A, as shown in Fig. 3.3. These one-electron delocalizations are formally very similar to the two-electron ( dative ) delocalizations discussed in Chapter 2, and they culminate as before (cf. Fig. 2.9) in an ionic-covalent transition to a completely delocalized two-center spin distribution at... [Pg.92]

Long-range ionic-covalent electron-hopping transitions... [Pg.60]


See other pages where Ionic-covalent transition long-range is mentioned: [Pg.60]    [Pg.167]    [Pg.41]    [Pg.18]    [Pg.568]    [Pg.295]    [Pg.157]    [Pg.93]    [Pg.190]    [Pg.179]    [Pg.104]    [Pg.162]    [Pg.4]    [Pg.345]    [Pg.557]    [Pg.21]    [Pg.53]    [Pg.5]   
See also in sourсe #XX -- [ Pg.60 ]




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