Zeitschrift für anorganische und allgemeine Chemie,
Journal Year:
2024,
Volume and Issue:
unknown
Published: Nov. 13, 2024
Abstract
In
this
study,
we
discuss
the
synthesis
and
structural
characterization
of
three
N‐heterocyclic
carbene
isothiocyanate
zwitterionic
ligands,
1,3‐bis(2,6‐diisopropylphenyl)‐2‐N‐phenyl‐thiocarbamoyl
imidazolium
(Im
Dipp
‐CSNPh,
L1)
,
1,3‐bis(
tert
‐butyl)‐2‐N‐phenylthiocarbamoyl
t
Bu
L2)
1,3‐bis(2,4,6‐trimethylphenyl)‐2‐N‐phenylthiocarbamoyl
Mes
L3)
their
cadmium
complexes,
[(Im
‐CSNPh)
2
CdCl][CdCl
3
]
(
1
)
‐CSNPh)Cd(μ‐Cl)Cl]
).
Both
bench‐stable
complexes
were
synthesized
by
directly
reacting
corresponding
NHC‐CSNPh
adducts
with
anhydrous
chloride.
The
solid‐state
structures
NHC‐isothiocyanate
betaine
L1
‐
L3
investigated
assistance
single
crystal
X‐ray
diffraction
analysis.
A
steric
modification
N‐substituent
on
NHC
governs
a
unique
change
from
Im
‐CSNPh
coordinated
cationic
complex
to
neutral
dimeric
‐CSNPh.
International Journal of Molecular Sciences,
Journal Year:
2025,
Volume and Issue:
26(2), P. 483 - 483
Published: Jan. 8, 2025
In
this
study,
we
report
the
first
example
of
acyclic
(amino)(N-pyridinium)carbenoid
gold(III)
complexes
synthesized
via
a
coupling
reaction
between
2-pyridylselenyl
chloride
and
Au(I)-bound
isonitriles.
The
involves
an
initial
oxidative
addition
Se-Cl
moiety
to
Au(I),
followed
by
nucleophilic
pyridine
fragment
isonitrile's
C≡N
bond,
furnishing
metallacycle.
Importantly,
is
acting
as
nucleophile
towards
metal-bound
Arguably,
such
due
chelate
effect.
structures
carbenoid
were
unambiguously
established
using
X-ray
diffraction
NMR
spectroscopy.
Theoretical
calculations,
including
DFT,
Natural
Resonance
Theory
(NRT),
Meyer
bond
order
(MBO)
analyses,
used
analyze
different
resonance
forms.
mechanism
was
further
elucidated
DFT
which
identified
rate-determining
step
with
barrier
29.7
kcal/mol.
proceeds
minimal
barrier,
making
highly
favorable.
antiproliferative
activity
new
compounds
2a-2e
tested
against
two
human
cancer
cell
lines:
A2780
ovarian
adenocarcinoma
A278Cis
cisplatin-resistant
variant.
ACS Omega,
Journal Year:
2025,
Volume and Issue:
unknown
Published: March 28, 2025
This
article
reports
the
synthesis,
characterization,
and
antitumor
properties
of
newly
synthesized
benzimidazole-based
Ag(I)-(BNHCs)
complexes
from
their
proligands.
All
compounds
underwent
comprehensive
characterization
using
techniques
such
as
1H,
COSY,
13C
NMR,
IR
spectroscopy,
electrospray
ionization
(ESI)-mass,
elemental,
single-crystal
X-ray
diffraction
(XRD)
analysis.
Density
functional
theory
(DFT)
studies
were
carried
out
to
observe
electronic
effects
bound
ligands
modulate
selectivity
reactivity
silver
complexes.
Time-dependent
DFT
(TD-DFT)
assessed
optical
further
highlighted
by
orbital
contributions
with
oscillator
strengths.
tested
against
breast
cancer
MCF-7
T47D
cell
lines.
The
synergistic
benzimidazole-incorporated
aryl
constituent
structuring
also
observed.
Nearly
all
have
been
found
be
promising
anticancer
agents
added
benefit
low
cytotoxic
toward
normal
cells.
Intriguingly,
[AgL
4
(Cl)]
exhibited
best
activity
among
our
screened
IC50
values
for
both
9
±
1.04
11
1.41,
respectively.
apoptosis
mode
death
was
confirmed
phosphatidylserine
exposure
annexin
V/PI
staining
imaging
method.
CT-DNA
interactions
most
active
complex
([AgL
(Cl)])
its
proligand
(HL
(Cl))
support
compound-DNA
interaction.
Strong
DNA
binding
affinities
(K
b)
through
electrostatic
intercalation
modes
induced
structural
changes
in
DNA.
Moreover,
molecular
docking
comprehend
possible
various
receptors
EGFR
(epidermal
growth
factor
receptor),
VEGFR2
(vascular
endothelial
receptors),
FGFR
(fibroblast
SRC
(proto-oncogene
tyrosine
kinase
protein)
family
serves
crucial
cancer.
European Journal of Inorganic Chemistry,
Journal Year:
2024,
Volume and Issue:
27(34)
Published: Aug. 16, 2024
Abstract
N‐Heterocyclic
carbenes
(NHCs)
play
an
important
role
in
metal
complex
catalysis
and
stabilisation,
providing
stability
under
non‐inert
conditions
a
high
σ‐donor
capacity.
They
are
crucial
ligands
for
the
synthesis
of
organometallic
compounds
like
Ru
II
‐complexes,
which
can
operate
as
very
active
catalysts
variety
chemical
transformations
functionalizations.
RA(Ruthenium‐arene)NHC
complexes,
known
their
piano‐stool
structure,
stabilise
Ru(II)
oxidation
state
by
occupying
three
ruthenium
coordination
sites
with
η
6
‐coordinated
arene
ligand.
The
development
dual‐acting
‐arene
complexes
has
sparked
increased
interest
catalytic
biological
properties.
Because
broad
spectrum,
give
distinct
mechanisms
pharmacological
action
from
organic
drugs.
This
study
aimed
to
explore
impact
ligand
amphiphilicity
counterion
on
bioactivity,
designing
family
NHC
bearing
ester
moiety
switching
wingtip
substituent
methyl
benzyl
units.
All
synthesized
were
tested
norbornene
ROMP,
benchmark
reaction
potential
anticancer
antioxidant
compounds.
Abstract
A
new
N,N'-disubstitute
benzimidazolium
ligand
and
its
Ag(I)-NHC
complex
have
been
synthesized",
along
with
symmetric
N,N'-disubstitute
derivative
of
N-Heterocyclic
carbene
ligands.
It
was
possible
to
make
alkyl
bromides
or
both
by
N-alkylating
5,6-methyl-1H-benzo[d]imidazole
fluor
non-fluor
benzyl
halides.
In
situ
deprotonation
compounds
Ag2O
a
catalyzed
reaction
KPF6
were
used
speed
up
the
synthesis
complex.
The
structural
properties
all
molecules
elucidated
NMR
spectroscopy,
PXRD,
FTIR,
elemental
ICP
analysis.
structure
complexes
identified
analyzing
powder
PXRD
diffraction
pattern.
According
analysis,
PF6−
anion
two
NHC
ligands
are
coordinated
an
Ag+
ion
in
linear
geometry
each
fluorinated
antimicrobial
activities
against
Gram-positive,
Gram-negative
bacteria
fungi
showed
that
minimum
inhibitory
concentration
value
is
0.25
µg/mL.
Ag
+
ions
bound
ionic
increased
effects
these
compounds.
