Chemistry Reference
In-Depth Information
Table 12.3
Predicted bondonic observables for bondonic information under the form of ratios for
bondonic mass and charge to the custom electronic ones, along the percentage ratio respecting the
light velocity, and the estimated life-time through employing the basic formulas (12.2), and (12.16),
(12.7), and (12.17), respectively, for a series of silanes optimized with the HyperChem (Hypercube
2002
) environment (PolakRibiere Geometry optimization, SemiEmpirical, AM1), featuring also
the resulted electrostatic potential superimposed on the 3D optimized structure, and employing the
overall molecular bondonic action radii
X
bond
relating the computed absolute (positive) binding
energy
E
bind
by the Eq. (12.19), while the bondonic information comments (respecting the general
p
rescriptions of Table
12.2
) are in text exposed, respectively
Molecule
Chemical Structure
E
X
m
B
v
B
e
B
×
×
16
t
[
10
18
]
bind
bond
ς
t
[
10
]
ς
=
m
×
10
6
v
=
[%]
ς
e
=
B
Bond
c
(100
atto-
seconds)
(atto-
seconds)
[
kcal
/
mol
]
[
Å
]
e
0
-4462.2278084
40.7911
11.8334
99.9951
1
2.17725
3.4016
I.
β
-(3,4-Epoxiciclohexil)etiltrietoxisilan
(CH
3
CH
2
O)
3
Si
CH
2
CH
2
O
-4107.8103525
44.3105
10.8936
99.9951
1
2.3651
3.69508
II.
N-Fenil-
γ
-aminopropiltrimetoxisilan
(CH
3
O)
3
Si
(CH
2
)
3
NH C
6
H
5
-4106.4344813
44.3253
10.8899
99.9951
1
2.36589
3.69632
III.
γ
-Glicidoxipropiltrietoxisilan
O
(CH
3
CH
2
O)
3
Si
(CH
2
)
3
O CH
2
CH CH
2
-3775.0975922
48.2157
10.0112
99.9951
1
2.57354
4.02074
IV.
β
-(3,4-Epoxiciclohexil)etildietoxisilan
(CH
3
CH
2
O)
2
SiH
CH
2
CH
2
O
