Applied Organometallic Chemistry,
Год журнала:
2025,
Номер
39(4)
Опубликована: Март 4, 2025
ABSTRACT
The
condensation
of
3‐amino‐1H‐1,2,4‐triazole
with
2‐benzoyl
benzoic
acid
produced
a
novel
Schiff
base
ligand
(H
2
L).
structure
synthesized
H
L
and
its
metal
complexes
[Co(II),
Ni(II),
Cu(II),
Zr(IV)]
were
characterized
by
mass
spectrometry,
FT‐IR,
1
NMR,
XRD,
UV‐vis,
ESR,
TG‐DTG
analyses
also,
supported
computational
approaches.
FT‐IR
spectral
data
showed
that
acts
in
tridentate
mode
through
azomethine
nitrogen,
the
nitrogen
triazole,
carboxylate
group
oxygen.
XRD
results
indicated
compounds
polycrystalline
monoclinic
systems
for
L,
Co(II),
Cu(II)
but
orthorhombic
Zr(IV)
Ni(II)
complexes.
Coats–Redfern
Horowitz–Metzger
equations
utilized.
optical
characteristics
evaluated.
From
DFT,
Δ
E
values
our
varied
from
0.033
eV
more
reactive
Co(II)
complex
to
0.109
less
Zr(IV)complex
compared
(0.113
eV).
Also,
σ
values,
considered
soft
L.
band
gap
(
g
)
those
DFT
found
be
equivalent.
metallic
assessed
their
antibacterial
activity
as
well
antifungal
activity.
exhibited
significant
antimicrobial
efficacy.
evaluated
cytotoxic
against
ATB‐37
colon
cancer
cell
line.
Notably,
effects
than
other
compounds.
subjected
molecular
docking
into
TRK
(PDB:
1t46),
DHFR
2W9H),
PaaABC
4IIT),
NatB
5K04)
predict
or
help
interpretation
cytotoxicity
potential.
electrochemical
behavior
complex–modified
electrodes
was
cyclic
voltammetry
(CV),
galvanostatic
charge–discharge
(GCD),
impedance
spectroscopy
(EIS)
measurements,
all
performed
6‐M
KOH
electrolyte.
have
much
higher
capacitance
modified
electrodes.
RSC Advances,
Год журнала:
2025,
Номер
15(10), С. 7371 - 7382
Опубликована: Янв. 1, 2025
In
this
work,
5,5'-(propane-1,3-diyl)bis-(1,3,5-triazinane-2-thione)
(PBT)
was
successfully
prepared
by
a
three-component
condensation
method
using
thiourea,
formaldehyde
and
1,3-diaminopropane.
The
inhibition
properties
of
PBT
in
1.0
mol
per
L
HCl
were
investigated
gravimetric
measurement,
electrochemical
analysis,
surface
analysis
quantum
chemical
methods.
results
show
that
the
efficiency
is
close
to
90%
at
298.15
K
concentration
range
0.005-1.0
mmol
L-1,
where
maximum
92.1%
L-1.
addition,
adsorption
on
carbon
steel
consistent
with
Langmuir
isothermal
model.
Both
experimental
theoretical
calculations
exhibits
excellent
corrosion
performance
strong
acidic
media.
Applied Organometallic Chemistry,
Год журнала:
2025,
Номер
39(4)
Опубликована: Март 4, 2025
ABSTRACT
The
condensation
of
3‐amino‐1H‐1,2,4‐triazole
with
2‐benzoyl
benzoic
acid
produced
a
novel
Schiff
base
ligand
(H
2
L).
structure
synthesized
H
L
and
its
metal
complexes
[Co(II),
Ni(II),
Cu(II),
Zr(IV)]
were
characterized
by
mass
spectrometry,
FT‐IR,
1
NMR,
XRD,
UV‐vis,
ESR,
TG‐DTG
analyses
also,
supported
computational
approaches.
FT‐IR
spectral
data
showed
that
acts
in
tridentate
mode
through
azomethine
nitrogen,
the
nitrogen
triazole,
carboxylate
group
oxygen.
XRD
results
indicated
compounds
polycrystalline
monoclinic
systems
for
L,
Co(II),
Cu(II)
but
orthorhombic
Zr(IV)
Ni(II)
complexes.
Coats–Redfern
Horowitz–Metzger
equations
utilized.
optical
characteristics
evaluated.
From
DFT,
Δ
E
values
our
varied
from
0.033
eV
more
reactive
Co(II)
complex
to
0.109
less
Zr(IV)complex
compared
(0.113
eV).
Also,
σ
values,
considered
soft
L.
band
gap
(
g
)
those
DFT
found
be
equivalent.
metallic
assessed
their
antibacterial
activity
as
well
antifungal
activity.
exhibited
significant
antimicrobial
efficacy.
evaluated
cytotoxic
against
ATB‐37
colon
cancer
cell
line.
Notably,
effects
than
other
compounds.
subjected
molecular
docking
into
TRK
(PDB:
1t46),
DHFR
2W9H),
PaaABC
4IIT),
NatB
5K04)
predict
or
help
interpretation
cytotoxicity
potential.
electrochemical
behavior
complex–modified
electrodes
was
cyclic
voltammetry
(CV),
galvanostatic
charge–discharge
(GCD),
impedance
spectroscopy
(EIS)
measurements,
all
performed
6‐M
KOH
electrolyte.
have
much
higher
capacitance
modified
electrodes.
