Molecular Physics,
Journal Year:
2024,
Volume and Issue:
unknown
Published: May 24, 2024
Phosphorus-centered
pnictogen
bonds,
similar
to
well-studied
halogen
play
a
vital
role
in
molecular
recognition
and
assembly.
This
study
aims
explain
how
bonds
interact
with
other
noncovalent
interactions.
A
model
system,
phosphines
(PH3),
which
is
also
present
phosphorus
cycles
reduces
planetary
atmospheres,
examined.
The
investigation
of
the
trifluoride
(PF3)
molecule
explores
its
substituent
effects.
To
generate
broad
spectrum
configurations,
specially
tailored
protocol
for
sampling
optimisation
was
implemented.
configurations
were
refined
uncover
primary
interaction
patterns,
clustering
algorithm
revealed
unique
patterns.
report
presents
energy
stability
distribution
all
clusters.
Our
findings
verify
prevalent
presence
identified
by
their
geometric
characteristics
co-occurrence
hydrogen
show
an
almost
linear
correlation.
Another
significant
discovery
correlation
between
various
decomposition
elements,
especially
regarding
electrostatic
overall
binding
energy.
These
results
are
anticipated
significantly
contribute
towards
our
comprehension
non-covalent
interactions
among
phosphorus-containing
molecules
formulation
empirical
models
having
physical
interpretations.
Pure and Applied Chemistry,
Journal Year:
2024,
Volume and Issue:
96(1), P. 135 - 145
Published: Jan. 1, 2024
Abstract
This
recommendation
proposes
a
definition
for
the
term
“pnictogen
bond”;
pnictogen
bond
designates
subset
of
attractive
interactions
between
an
electrophilic
region
on
atom
in
molecular
entity
and
nucleophilic
another,
or
same,
entity.
Journal of the American Chemical Society,
Journal Year:
2023,
Volume and Issue:
145(36), P. 19458 - 19477
Published: Aug. 30, 2023
Motivated
by
the
discovery
of
main
group
Lewis
acids
that
could
compete
or
possibly
outperform
ubiquitous
organoboranes,
several
groups,
including
ours,
have
engaged
in
chemistry
acidic
organoantimony
compounds
as
new
platforms
for
anion
capture,
sensing,
and
transport.
Principal
to
this
approach
are
intrinsically
elevated
properties
antimony,
which
greatly
favor
addition
halide
anions
15
element.
The
introduction
organic
substituents
antimony
center
its
oxidation
from
+
III
V
state
provide
tunable
acidity
a
breadth
applications
supramolecular
catalysis.
performances
these
antimony-based
domain
sensing
aqueous
media
illustrate
favorable
attributes
central
At
same
time,
recent
advances
binding
catalysis
transport
across
phospholipid
membranes
speak
numerous
opportunities
lie
ahead
unique
compounds.
Crystal Growth & Design,
Journal Year:
2024,
Volume and Issue:
24(10), P. 4003 - 4012
Published: May 6, 2024
The
nomenclature
exemplified
in
this
paper's
title
has
more
terms
than
necessary.
It
conceals
the
often-similar
physical
natures
of
noncovalent
interactions
that
it
names,
and
pointlessly
imitates
term
used
for
most
important
interaction,
hydrogen
bond.
In
doing
so,
becomes
inconsistent
with
naming
style
covalent
several
interactions.
other
shortcomings
attracted
criticism
from
quarters.
is
suggested
here
simplest
alternative
consists
three
terms:
σ-hole
π-hole
p-hole
interaction.
first
two
are
well-known
often
regarded
as
implying
an
electrostatic
Given
Hellmann–Feynman
theorem,
expectation
completely
satisfied.
Additional
could
be
σ-
or
almost
but
not
quite
hypervalent
dative
("perihypervalent
bond"
"pericovalent
suggested).
With
some
exceptions,
argued
"interaction"
should
preferred
to
"bond".
Effecting
a
change
would
difficult.
best
started
by
open
objective
exchange
views
on
current
state
Crystal Growth & Design,
Journal Year:
2024,
Volume and Issue:
24(13), P. 5494 - 5525
Published: June 24, 2024
This
Article
revisits
the
"Definition
of
Halogen
Bond
(IUPAC
Recommendations
2013)"
[Desiraju,
G.
R.
Pure
Appl.
Chem.
2013,
85
(8),
1711–1713],
recommendations
that
fail
to
include
fundamental,
underlying
concept
(electrophilic)
σ-
and
p-/π-hole
theory
orbital-based
charge
transfer
interactions
accompany
halogen
bond
formation.
An
electrophilic
σ-hole,
or
p-/π-hole,
is
an
electron-density-deficient
region
positive
polarity
(and
potential)
on
electrostatic
surface
side
along,
orthogonal
to,
a
covalently
bonded
in
molecular
entity
leads
development
noncovalent
interaction─a
bond─when
close
proximity
electron-density-rich
nucleophilic
same
another
identical
different
entity,
with
which
it
interacts.
re-examines
characteristic
features
lists
wide
variety
donors
acceptors
participate
bonding.
We
add
caveats
are
essential
for
identifying
bonding
chemical
systems,
necessary
appropriate
use
terminologies
involved.
Illustrative
examples
systems
feature
inter-
intramolecular
bonds
other
crystalline
phase
given,
together
case
study
some
dimer
using
first-principles
calculations.
also
point
out
π-hole/belt
(or
p-hole/belt)
may
develop
derivative
halogenated
molecules
be
prone
forming
when
nucleophiles
similar
entity.
Angewandte Chemie International Edition,
Journal Year:
2024,
Volume and Issue:
63(28)
Published: April 26, 2024
Intermolecular
pnictogen
bonding
(PnB)
catalysis
has
received
increased
interest
in
non-covalent
organocatalysis.
It
been
demonstrated
that
organic
electron-deficient
atoms
can
act
as
prospective
Lewis
acids.
Here,
we
present
a
catalytic
approach
for
the
asymmetric
synthesis
of
chiral
P
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.
Inorganic Chemistry,
Journal Year:
2023,
Volume and Issue:
62(33), P. 13566 - 13572
Published: Aug. 8, 2023
We
report
the
results
of
a
computational
investigation
into
fluoride
binding
by
series
pentavalent
pnictogen
Lewis
acids:
pentahalides
(PnX5),
tetraphenyl
pnictogeniums
(PnPh4+),
and
triphenyl
tetrachlorocatecholates
(PnPh3Cat).
Activation
strain
energy
decomposition
analyses
adducts
not
only
clearly
delineate
electrostatic
orbital
contributions
to
these
acid–base
interactions
but
also
highlight
importance
Pauli
repulsion
molecular
flexibility
in
determining
relative
acidity
among
pnictogens.
CrystEngComm,
Journal Year:
2023,
Volume and Issue:
25(7), P. 1038 - 1052
Published: Jan. 1, 2023
This
study
discusses
the
ability
of
bound
bismuth
in
molecular
entities
to
participate
non-covalent
bonding
interactions
and
hence
features
Bi-centered
pnictogen
bonds
crystal
lattices
nanoscale
materials.
