The Journal of Physical Chemistry A,
Journal Year:
2025,
Volume and Issue:
unknown
Published: Jan. 17, 2025
Nine
metal
complexes
formed
by
three
symmetric
β-diketonates
(viz.,
acetylacetonate
(acac),
1,1,1,3,3,3-hexafluoro-acetylacetonate
(hfac),
and
2,2,6,6-tetramethylheptane-3,5-dionate
(tmhd))
ions
(with
different
coordination
geometries,
viz.,
BeII
-
tetrahedral,
CuII
square
planar,
PbII
"swing"
pyramidal)
were
investigated.
The
study
combines
structural
analyses,
vibrational
spectroscopic
techniques,
quantum
chemical
calculations
with
the
aim
of
bridging
crystal
structure,
electronic
molecular
topology,
far-infrared
(FIR)
characteristics.
effect
intramolecular
interactions
on
structural,
electronic,
features
is
center
this
study.
structure
Be(tmhd)2
also
reported
discussed
for
first
time.
A
complete
review
experimental
IR
spectra
offered;
discrepancies
in
assignments
some
peaks
are
revealed
among
published
works.
Anharmonic
effects
considered
acac
complexes;
however,
they
negligible
FIR
modes.
systematic
comparison
between
computed
experimentally
measured
data
allowed
us
to
design
an
inexpensive,
yet
efficient
computational
protocol
investigate
large
polynuclear
complexes.
F1000Research,
Journal Year:
2025,
Volume and Issue:
14, P. 334 - 334
Published: March 27, 2025
Background
The
heavy
metal
contamination
of
water
leads
to
major
environmental
and
health
problems
throughout
the
Mantaro
River
basin
area.
study
assesses
adsorption
capacity
surface-modified
chak’o
nano-clay
for
extracting
lead
(Pb2+)
arsenic
(As5+).
Methods
Surface
modifications
unmodified
were
achieved
using
through
Aminopropyltriethoxysilane
(APTES),
iron
oxide
(Fe3O4),
combined
APTES
+
Fe3O4
particles.
Adsorption
performance
was
assessed
batch
experiments
over
8
hours.
BET
XPS
analyses
conducted
determine
surface
area,
pore
volume,
functional
group
availability.
kinetics
modeled
a
pseudo-second-order
model,
equilibrium
data
analyzed
Langmuir
isotherm.
Results
dual
modification
produced
maximum
removal
capacities
which
led
95–100%
Pb2+
As5+
analysis
demonstrated
that
area
(300
m2/g
375
m2/g)
volume
(0.420
cm3/g
0.600
cm3/g)
as
well
availability
increased
substantially
thus
resulting
in
improved
adsorption.
model
fit
kinetic
while
isotherm
behavior
describe
monolayer
treatment
combination
with
generated
an
adsorbent
better
magnetic
properties
electrical
conductivity
improving
its
recovery
potential
structural
stability.
dual-modified
showed
high
stability
during
three
cycles
desorption
tests
because
it
maintained
more
than
90%
original
process.
Conclusion
research
shows
specialized
treatments
deliver
advanced
absorption
abilities
positions
leading
choice
sustainable
system
remediation.
