Chemistry Reference
In-Depth Information
Fig. 11.10
The potential contour maps for phenol (
a
), 1-naphthol (
b
), 2-naphthol-3,6-sodium
disulfonate (
c
) under discussion on their HOMO state. A higher density of contours indicates
that the site is susceptible for electrophilic attack either for positive (
green
) or negative (in
cyan
)
molecular electrostatic potential
discussed using the energetic and
π
electron density distribution indices calculated
by HMO and DFT methods.
The structure and reactivity in diazotization reaction electronic spectra (200-
800 nm) are recorded for sulphanilic acid and sulphanilamide, the corresponding
hydrochlorides, diazonium salts and hydrolysis products. Molecular orbital calcu-
lations by the HMO method are performed for the above molecules (Isac et al.
1981a
).
