How to Deal with Charge in the Ranking of Lewis Acidity: Critical Evaluation of an Extensive Set of Cationic Lewis Acids
Angewandte Chemie International Edition,
Год журнала:
2024,
Номер
63(22)
Опубликована: Март 13, 2024
The
quantification
of
Lewis
acidity
is
fundamental
and
applied
importance
in
chemistry.
However,
if
neutral
charged
acids
are
compared,
a
coherent
ranking
has
been
elusive,
severe
uncertainties
were
accepted.
With
this
study,
we
present
systematic
computational
analysis
base
affinities
784
mono-,
di-
tricationic
their
comparison
with
149
representative
acids.
Evaluating
vacuum
fluoride
ion
(FIA)
reveals
charge-caused
clustering
that
prohibits
any
meaningful
ranking.
Instead,
solvation-corrected
FIA
Язык: Английский
Recent advances in bismuth oxyfluoride-based photocatalysts for energy and environmental remediation
Materials Today Chemistry,
Год журнала:
2024,
Номер
36, С. 101924 - 101924
Опубликована: Янв. 24, 2024
Язык: Английский
Surface decorated metal carbonyl clusters: bridging organometallic molecular clusters and atomically precise ligated nanoclusters
Dalton Transactions,
Год журнала:
2025,
Номер
unknown
Опубликована: Янв. 1, 2025
In
this
Frontier
Article,
the
work
carried
out
within
our
research
group
in
Bologna
field
of
surface
decorated
metal
carbonyl
clusters
will
be
outlined
and
put
a...
Язык: Английский
[K2(Bi@Pd12@Bi20)]4–: An Endohedral Inorganic Fullerene with Spherical Aromaticity
Journal of the American Chemical Society,
Год журнала:
2024,
Номер
146(20), С. 14166 - 14173
Опубликована: Май 8, 2024
Inorganic
fullerene
clusters
have
attracted
widespread
attention
due
to
their
highly
symmetrical
geometric
structures
and
intrinsic
electronic
properties.
However,
cage-like
composed
of
heavy
metal
elements
with
high
symmetry
are
rarely
reported,
synthesis
is
also
challenging.
In
this
study,
we
present
the
a
[K2(Bi@Pd12@Bi20)]4-
cluster
that
incorporates
{Bi20}
cage
pseudo-Ih
symmetry,
making
it
largest
main
group
compound
bismuth
element
date.
Magnetic
characterization
theoretical
calculations
suggest
spin
state
overall
quartet.
Quantum
chemical
reveal
[Bi20]3-
has
similar
configuration
C606-
[Bi@Pd12@Bi20]6-
exhibits
unique
open-shell
aromatic
character.
Язык: Английский
Interfacial linkage modulated amorphous molybdenum sulfide/bismuth halide perovskite heterojunction for enhanced visible-light-driven photocatalytic hydrogen evolution
Applied Catalysis B Environment and Energy,
Год журнала:
2024,
Номер
358, С. 124454 - 124454
Опубликована: Июль 29, 2024
Photocatalytic
hydrogen
evolution
is
a
promising
approach
for
direct
solar-to-fuel
conversion.
Although
significant
research
efforts
have
been
put
on
the
development
of
lead-free
metal
halide
perovskites
to
reach
excellent
optoelectronic
properties,
their
rational
design
efficient
heterojunction
photocatalytic
systems
still
poses
challenges.
Here,
we
report
new
strategy
tailor
interface
hybrid
tri(dimethylammonium)
hexaiodobismuthate
(DMA3BiI6)
and
amorphous
molybdenum
sulfide
(a-MoSx)
heterojunctions.
Specifically,
a-MoSx
was
prepared
with
abundant
apical
S2–
or
bridging
S22–
ligands
allow
coupling
DMA3BiI6
via
an
interfacial
Mo–S–Bi
linkage.
The
as-obtained
heterostructures
were
found
show
improved
visible-light-driven
in
hydroiodic
acid
splitting
under
mild
conditions
reaching
superior
rate
around
750
µmol
g−1
h−1
apparent
quantum
efficiency
(AQE)
13.0
%
at
420
nm.
high
activity
kept
after
long-term
performance
test
3
days.
Язык: Английский
Bismuth(III)-Catalyzed Oxidative Cross-Coupling of 3-Hydroxycarbazoles with Arenols under an Oxygen Atmosphere
Organic Letters,
Год журнала:
2023,
Номер
25(35), С. 6501 - 6505
Опубликована: Авг. 28, 2023
A
Bi(OTf)3-catalyzed
oxidative
cross-coupling
reaction
of
3-hydroxycarbazoles
with
arenols
was
developed
under
mild
conditions.
Both
substrates
were
used
in
a
1:1
molar
ratio
the
presence
catalytic
amount
Bi(OTf)3.
The
carried
out
an
oxygen
atmosphere
at
30
°C
to
afford
C1-symmetric
hydroxybiaryls
good
yields
(up
94%)
high
chemo-
and
regioselectivity.
Язык: Английский
How to Deal with Charge in the Ranking of Lewis Acidity: Critical Evaluation of an Extensive Set of Cationic Lewis Acids
Angewandte Chemie,
Год журнала:
2024,
Номер
136(22)
Опубликована: Март 13, 2024
Abstract
The
quantification
of
Lewis
acidity
is
fundamental
and
applied
importance
in
chemistry.
However,
if
neutral
charged
acids
are
compared,
a
coherent
ranking
has
been
elusive,
severe
uncertainties
were
accepted.
With
this
study,
we
present
systematic
computational
analysis
base
affinities
784
mono‐,
di‐
tricationic
their
comparison
with
149
representative
acids.
Evaluating
vacuum
fluoride
ion
(FIA)
reveals
charge‐caused
clustering
that
prohibits
any
meaningful
ranking.
Instead,
solvation‐corrected
FIA
solv
identified
as
metric
overcomes
charge
sensitivity
balanced
manner,
allowing
for
evaluation
across
varying
states.
Analyzing
the
impact
molecular
volume
on
solvation‐induced
damping
provides
rationales
trends
guidelines
choice
or
design
cationic
condensed
phase.
Exploring
alternative
scales,
explicit
counteranion
effects,
selected
experimental
case
studies
reaffirms
advantages
most
versatile
practical
approach
quantitative
general
(thermodynamic)
acidity.
Язык: Английский