American Journal of Applied Chemistry,
Journal Year:
2024,
Volume and Issue:
12(6), P. 135 - 148
Published: Dec. 12, 2024
Organic
inhibitors
are
crucial
for
preserving
metals
from
corrosion
in
acidic
environments.
In
this
regard,
the
methyl
4-(((1-H
benzo[d]imidazol-2-yl)methyl)thio)methyl)benzoate
(M-41HBI-2MTMB)
was
synthesized
and
investigated
as
an
eco-friendly
inhibitor
aluminum
a
molar
nitric
acid
solution
(1
M
HNO<sub>3</sub>).
The
gravimetric
technique
used
to
study
inhibitory
properties
of
molecule,
density
functional
theory
(DFT)
conducted
elucidate
inhibition
mechanism.
experimental
data
indicated
that
M-41HBI-2MTMB
reduced
metal
with
significant
efficiency.
increased
increase
concentration
reaching
efficiency
98.5%
at
5.10<sup>-3</sup>
M,
temperature
298
K.
Adsorption
isotherms
thermodynamic
parameters
were
studied
interactions
between
surface.
adsorbed
spontaneously
onto
surface
following
Villamil
model
(modified
Langmuir
isotherm).
Additionally,
Gibbs
free
energy
less
than
-
40
kJ.mol<sup>-1</sup>
negative
value
enthalpy
adsorption
suggested
mixed-type
predominance
physical
interactions.
theoretical
findings
DFT
calculations
revealed
positive
fraction
electrons
transferred
(<i>ΔN
=
0.247
eV</i>),
high
electrophilicity
index
(<i>ω
3.807
eV</i>)
well
low
gap
(<i>ΔE
4.478
showing
favorable
its
environment.
active
sites
molecule
highlighted
level
carbon
atoms,
mechanism
proposed.
Applied Organometallic Chemistry,
Journal Year:
2025,
Volume and Issue:
39(3)
Published: Feb. 5, 2025
ABSTRACT
Two
novel
multifunctional
complexes
[M(CCAM)
2
(NO
3
)](NO
)
·C
H
5
OH
(M
=
Dy
(III)/Er
(III);
CCAM
2‐cyano‐
N
′‐((4‐oxo‐4H‐chromen‐3‐yl)methylene)acetohydrazide)
were
synthesized
and
characterized
via
elemental
thermal
analyses,
molar
conductivity,
UV–vis.,
FT‐IR
spectroscopy,
revealing
a
1:2
metal‐to‐ligand
stoichiometry.
The
ligand
coordinated
with
Dy(III)
or
Er(III)
ions
through
nitrogen
of
azomethine
oxygen
the
carbonyl
γ‐pyran
groups.
Corrosion
inhibition
studies
for
Dy(CCAM),
Er(CCAM),
on
carbon
steel
(C‐steel)
in
1‐M
HCl
showed
Dy(CCAM)
Er(CCAM)
as
highly
efficient,
offering
best
protection.
In
solution,
Fe
2+
at
C‐steel
surface
interacts
CCAM,
compounds,
demonstrated
by
UV–vis
spectroscopy.
At
concentration
10
−3
M,
compounds
greater
performance
efficiency
weight
loss
test
reaching
93.34%
95.67%,
respectively.
Langmuir
adsorption
isotherm
pronounced
mixed
mechanisms.
characteristics
SEM,
EDX,
AFM,
contact
angle
measurements
confirmed
shielding.
vitro
antibacterial
antifungal
activity
prepared
against
organisms,
including
Escherichia
coli
,
Pseudomonas
aeruginosa
Staphylococcus
aureus
Bacillus
subtilis
bacteria,
C
andida
albicans
A
spergillus
fumigatus
fungi
is
carried
out.
inhibitor
exhibits
greatest
action
different
tested
antimicrobials.
Additionally,
cytotoxicity
produced
growth
inhibitory
effects
Erlish
Acities
Carcinoma
was
ascertained.
found
to
have
cytotoxic
levels
(IC
50
64
65
μM),
As
result,
more
effective
therapeutic
approach
creation
antimicrobial
antitumor
agents.
For
superior
corrosion
protection,
theoretical
molecular
docking
DFT
MD
simulations
validated
experimental
results.
Oriental Journal Of Chemistry,
Journal Year:
2025,
Volume and Issue:
41(1), P. 57 - 65
Published: Feb. 28, 2025
Preserving
metals
by
inhibiting
corrosion
is
crucial;
however,
many
traditional
inhibitors
are
environmentally
hazardous
due
to
their
toxicity
and
non-biodegradability.
Therefore,
this
study
proposes
ethyl
2-oxo-2H-chromene-3-carboxylate
as
an
eco-friendly
inhibitor.
The
analysis
was
carried
out
on
aluminum
in
a
hydrochloric
acid
molar
solution
using
gravimetry
Density
Functional
Theory
(DFT).
findings
revealed
that
exhibited
significant
inhibition
with
efficiency
of
90.5%
at
concentration
5.10-4
M
45°C.
adsorption
behavior
followed
the
Temkin
model,
indicating
favorable
surface
interactions.
Additionally,
lower
activation
energy
inhibited
medium
endothermic
dissolution
aluminum,
indicated
calculated
thermodynamic
parameters,
suggest
chemical
adsorption.
DFT
calculations
negative
fraction
(ΔN
=
-0.153
eV),
chemisorption
facilitated
electron
transfer
from
3s
orbital
2-oxo-2H-chromene-3-carboxylate.
Frontier
highlighted
active
sites
O16,
C9,
C13
atoms,
supporting
mechanisms
molecular
