Bio-structural Energy Criteria of Functional States in Normal and Pathological Conditions - Progress in Organic and Physical Chemistry: Structures and Mechanisms - page 10

Using some properties of wave function as applied to P-parameter, we obtain the wave
equation of P-parameter that is formally analogous with Ȍ function equation.
Based on the calculations and comparisons, two principles of adding spatial en-
ergy criteria depending on wave properties of P-parameter and system character of
interactions and particle charges are substantiated:

(1) Interaction of oppositely charged (heterogeneous) systems containing I, II,
and III, atom grades is satisfactorily described by the principle of adding their
reverse energy values based on Equations (5) and (8), thus corresponding to
the minimum of weakening the oscillations in antiphase.
(2) When similarly charged (homogeneous) subsystems are interacted, the prin-
ciple of algebraic addition of their P-parameters is followed based on the equa-
tions:

m

' "

!

m

PPP P

(7)

0 0 0 0

i 1

∑

P

∑

0

(8)

P =

E

where R = dimensional characteristic of an atom (or chemical bond) thus correspond-
ing to the maximum of enhancing the oscillations in phase.

2.3 Ð-PARAMETER AS AN OBJECTIVE ELECTRONEGATIVITY ASSESSMENT
The notion of EN was introduced by Poling in 1932s, as a quantitative characteristic of
atoms' ability to attract electrons in a molecule. Currently there are a lot of methods to
calculate the EN (thermal chemical, geometrical, spectroscopic, etc) producing com-
parable results. The notion of EN is widely applied in chemical and crystal chemical
investigations.
Taking into account Sandersen's idea that EN changes symbately with atom elec-
tron density and following the physical sense of P-parameter as a direct characteristic
of atom electron density at the distance r i from the nucleus, we assume that EN for
the lowest stable oxidation degree of the element equals the averaged energy of one
valence electron:

Po

X

(9)

3 R

or for the first valence electron:

Po

X

(9ɚ)

3 R

where Ɋ 0 = total of Ɋ 0 -parameters for n-valence electrons, R = atom radius (depend-

ing on the bond type--metal, crystal or covalent), value of Ɋ 0 -parameter is calculated

∑