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Spin-pairing energy parameter

Table 5 (iv). Corrections for changes in the spin-pairing energy parameter associated with charge-transfer transitions... [Pg.123]

Ionic radii and coordination number N 114 D = spin-pairing energy parameter d — Rydberg defect... [Pg.111]

Subsequently, LFMM was extended with an explicit spin-pairing energy (18). This is an empirical term with the same functional form as the AOM parameters (Eq. 7) and is significantly easier to implement than to express the ligand field stabilization energy as a function of the many-electron Russell-Saunders terms (60). Preliminary indications (61) for Fe(II) species suggest the approach is satisfactory and we expect to be able to use LFMM to study phenomena like spin crossover. [Pg.22]

Refined spin-pairing energy theory introduced by Jorgensen involves adding coefficients to 3 and spin-orbit coupling stabilization values to the lowest 7-levels by —Vi(L + 1 ) 4f for q 7 and — 1 /2Z+4f for q >7, with V as the zero-point energy and (E — A) as a parameter due to the stabilization of 4/ electrons from one element to another. For q = 1 to 14 we have the expressions for the spin-pairing... [Pg.124]

It is probably useful to view the stability constants and the associated thermodynamic parameters in terms of spin-pairing energy or the double-double effect. In the case of... [Pg.173]

For those configurations where low-spin behavior occurs, the spin-pairing energy fl may be expressed in terms of the Racah parameters B and C [138] ... [Pg.9]

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See also in sourсe #XX -- [ Pg.50 ]



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Energy parameters

Pair energy

Pair parameters

Paired spins

Spin pairs

Spin parameter

Spin-pairing

Spin-pairing energy

Spin-pairing parameter

Spinning parameters

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