European Journal of Inorganic Chemistry,
Journal Year:
2024,
Volume and Issue:
unknown
Published: Nov. 14, 2024
Abstract
Interaction
of
perfluorinated
group
13
element
Lewis
acids
E(C
6
F
5
)
3
(E=B,
Al,
Ga,
In)
and
Al{OC(CF
}
with
diatomic
halogens
interhalogens
was
studied
computationally.
Boron‐containing
derivative
is
predicted
to
form
weak
complexes
be
thermodynamically
stable
respect
iodination,
while
its
heavier
derivatives
stronger
that
are
unstable
E−C
bond
oxidation.
The
reactivity
iodine
monochloride
Al{OCR
(R=CF
,
C
explored
experimentally.
Experimental
data
confirm
B(C
does
not
react
ICl
at
room
temperature
molecular
in
range
233–350
K.
Heavier
upon
reaction
I
2
undergo
oxidation
processes
evolution.
Both
*C
H
Al{OC(C
do
iodine.
Angewandte Chemie International Edition,
Journal Year:
2024,
Volume and Issue:
63(31)
Published: May 11, 2024
The
use
of
noncovalent
interactions
based
on
electrophilic
halogen,
chalcogen,
pnictogen,
or
tetrel
centers
in
organocatalysis
has
gained
noticeable
attention.
Herein,
we
provide
an
overview
the
most
important
developments
last
years
with
a
clear
focus
experimental
studies
and
catalysts
which
act
via
such
non-transient
interactions.
Angewandte Chemie International Edition,
Journal Year:
2024,
Volume and Issue:
63(35)
Published: June 7, 2024
Organic
frameworks
face
a
trade-off
between
the
framework
stability
and
bond
dynamics,
which
necessitates
development
of
innovative
linkages
that
can
generate
stable
without
hindering
efficient
synthesis.
Although
iodine(I)-based
halogen-bonded
organic
(XOFs)
have
been
developed,
constructing
XOFs
based
on
bromine(I)
is
desirable
yet
challenging
due
to
high
sensitivity
species.
In
this
work,
we
present
inaugural
construction
bromine(I)-bridged
two-dimensional
(2D)
frameworks,
XOF(Br)-TPy-BF
International Journal of Molecular Sciences,
Journal Year:
2024,
Volume and Issue:
25(9), P. 4587 - 4587
Published: April 23, 2024
This
study
reveals
a
new
non-covalent
interaction
called
π-hole
halogen
bond,
which
is
directional
and
potentially
non-linear
compared
to
its
sister
analog
(σ-hole
bond).
A
shown
here
be
observed
on
the
surface
of
in
halogenated
molecules,
can
tempered
display
aptness
form
bond
with
series
electron
density-rich
sites
(Lewis
bases)
hosted
individually
by
32
other
partner
molecules.
The
[MP2/aug-cc-pVTZ]
level
characteristics
bonds
33
binary
complexes
obtained
from
charge
density
approaches
(quantum
theory
intramolecular
atoms,
molecular
electrostatic
potential,
independent
gradient
model
(IGM-δginter)),
intermolecular
geometries
energies,
second-order
hyperconjugative
transfer
analyses
are
discussed,
similar
interactions.
That
molecules
substantiated
experimentally
reported
crystals
documented
Cambridge
Crystal
Structure
Database.
importance
design
growth
chemical
systems
synthetic
chemistry,
crystallography,
crystal
engineering
yet
fully
explicated.
ChemPhysChem,
Journal Year:
2024,
Volume and Issue:
25(17)
Published: May 22, 2024
In
this
paper
we
revisit
earlier
work
relating
to
monoatomic
atoms
and
ions
published
by
pioneers
in
the
area
of
electrostatic
potentials.
We
include
plots
radial
distributions
potentials
for
spherically
symmetric
cations,
singly,
doubly
triply
negative
anions.
For
with
anisotropy
their
densities
potentials,
such
as
halonium
it
is
shown
how
molecular
surface
approach
plotting
complements
that
achieved
directional
distributions.
ChemCatChem,
Journal Year:
2024,
Volume and Issue:
unknown
Published: June 15, 2024
Abstract
Sulfonium,
selenonium,
telluronium
triflates,
as
well
chloronium,
bromonium,
and
iodonium
triflates
have
been
examined
in
the
model
Schiff
condensation
chalcogen‐
halogen
bond
donating
organocatalysts,
respectively.
The
kinetic
data
indicated
that
catalytic
effect
of
salt
is
provided
via
decrease
enthalpy
activation
reaction,
whereas
–
unexpectedly
caused
by
value
entropy
activation.
In
addition,
it
was
experimentally
shown
activity
sulfonium
selenonium
salts
significantly
lower
than
chloronium
bromonium
salts,
but
latter
pair
species
less
stable
under
reaction
conditions
former
pair.
Chalconium
and
halonium
salts
catalyze
Schiff
condensation.
Kinetic
data
DFT
calculations
show
that
the
catalytic
activity
correlates
with
maximum
electrostatic
potential
on
σ-holes,
whereas
other
factors
are
less
significant.
Physical Chemistry Chemical Physics,
Journal Year:
2025,
Volume and Issue:
unknown
Published: Jan. 1, 2025
Theoretical
studies
show
that
At
+
can
form
linear
halogen(
i
)
complexes
([D⋯X⋯D]
).
The
strong
spin–orbit
coupling
effect
on
does
not
alter
the
R
XB
trend
of
but
causes
an
irregular
Δ
E
int
across
halogens.
