Chemistry Reference
In-Depth Information
k = (c/R)
1/2
+ d,
(56)
where c and d are the constants.
Remick [46] pointed out that the bond stretching force constant (k) is a function of
the product of the electronegativities of the atoms constituting the molecule. Thus for
a diatomic molecule, the bond stretching force constant (k
AB
) was given by:
k
AB
= ƒ(χ
A
χ
B
)
(57)
The stretching force constant is not only functions of product of the electronega-
tivity of the atoms present on the molecule but it is also dependent on several other
factors such as (i) bond order (N), and (ii) bond distance (R).
Gordy [47] considered all the factors and modifi ed the Reimick's equation as:
k
AB
= ƒ(N,χ
A
χ
B
,R)
(58)
Thus, he proposed the general equation for the bond stretching force constant as
follows:
k
AB
= a N(χ
A
χ
B
/R
2
)
3/4
+ b,
(59)
where a and b are constants for certain broad classes of molecules. To determine
the constants, a and b, Gordy compared calculated N(χ
A
χ
B
/R
2
)
3/4
with the experimental
bond stretching values of some molecules and evaluated the constants as a = 1.67 and
b = 0.30.
It should be notated here that k
AB
is measured in dynes × cm 10
-5
, R is in Å. The
value of the constants “a” and “b” varies from a class of molecule to another class. A
detail study was made by Gordy and proposed different constant values for different
classes and bond order in his paper [47].
On the basis of Pasternak's [21] electronegativity defi nition and SBC model [18-
21], Ray et al. [17] proposed a direct method for the evaluation of the force constant
of A-B bond from the equalized electronegativity as:
k
AB
= (7/4) χ
2
AB
/R
AB
C
2
(60)
where, C is a constant which depends on bond type.
STANDARD ENTHALPIES OF FORMATION AND BOND DISSOCIATION
ENERGY
Bratsch [48] pointed out that the Pauling Scale of electronegativity can be used to
predict standard enthalpies of formation of binary compounds:
ΔH
0
f
(kilo joule/mole) = - 96.5n [χ
A
- χ
B
]
2
(61)
where n is the number of equivalents in the compound formula, χ
A
, χ
B
are the
Paul-
ing
electronegativity in (eV)
1/2
unit.
Knowledge of bond dissociation energies of chemical bonds in molecules is essen-
tial for understanding chemical processes [49]. At the outset, it should be emphasized
that there is a distinction [50] between the bond dissociation energy and the average
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