[35]. In the present case, we have for the following metal ion,
vM = dEM/dnM = dEM/dqM, and ligand set, vL = dEL/dnL = dEL/
dqL = dEL/dqM, fragment electronegativities. The derivative of the
electrostatic energy with respect of the charge can be formulated
as a potential, exerted on metal fragment, U = UM = dEel/dqM, or
on the ligand set UL = dEel/dqL = dEel/dqM = U.
The Eq. (2) can be rewritten as follows:
vM vL þ U ¼ vM þ
1
2U
vL
1
2U
¼ 0: ð3Þ
If redefine the electronegativity of ‘‘fragments in molecules’’ as
incorporating, each one, a half of the interaction potential,
~vM ¼ vM þ
1
2U; ð4aÞ
~vL ¼ vL
1
2U; ð4bÞ
[35]. In the present case, we have for the following metal ion,vM = dEM/dnM = dEM/dqM, and ligand set, vL = dEL/dnL = dEL/dqL = dEL/dqM, fragment electronegativities. The derivative of theelectrostatic energy with respect of the charge can be formulatedas a potential, exerted on metal fragment, U = UM = dEel/dqM, oron the ligand set UL = dEel/dqL = dEel/dqM = U.The Eq. (2) can be rewritten as follows:vM vL þ U ¼ vM þ12U vL 12U ¼ 0: ð3ÞIf redefine the electronegativity of ‘‘fragments in molecules’’ asincorporating, each one, a half of the interaction potential,~vM ¼ vM þ12U; ð4aÞ~vL ¼ vL 12U; ð4bÞ
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