Angewandte Chemie International Edition,
Journal Year:
2021,
Volume and Issue:
60(33), P. 18223 - 18230
Published: June 11, 2021
Abstract
Similarities
in
sizes,
shapes,
and
physical
properties
between
carbon
dioxide
(CO
2
)
acetylene
(C
H
make
it
a
great
challenge
to
separate
the
major
impurity
CO
from
products
C
production.
The
use
of
porous
materials
is
an
appealing
path
replace
current
very
costly
energy‐consuming
technologies,
such
as
solvent
extraction
cryogenic
distillation;
however,
high
/C
uptake
ratio
with
minor
adsorption
at
standard
pressure
was
only
unexpectedly
observed
scarce
examples
recent
years
although
related
research
started
early
1950s,
general
design
strategies
realize
this
aim
are
still
absent.
This
work
has
successfully
developed
efficient
PIET
strategy
obtained
second
highest
for
proof‐of‐concept
MOF
photochromism‐active
bipyridinium
zwitterion.
An
unprecedented
photocontrollable
gate
effect,
owing
change
interannular
dihedral
after
photoinduced
generation
radical
species,
also
first
time.
These
findings
will
inspire
synthesis
gas
separation.
The Journal of Physical Chemistry Letters,
Journal Year:
2024,
Volume and Issue:
15(2), P. 636 - 643
Published: Jan. 11, 2024
Nonadiabatic
dynamics
simulations
have
become
a
standard
approach
to
explore
photochemical
reactions.
Such
require
underlying
potential
energy
surfaces
and
couplings
between
them,
calculated
at
chosen
level
of
theory,
yet
this
aspect
is
rarely
assessed.
Here,
in
combination
with
the
popular
trajectory
surface
hopping
method,
we
use
high-accuracy
XMS-CASPT2
electronic
structure
as
benchmark
for
assessing
performances
various
post-Hartree–Fock
methods
(namely,
CIS,
ADC(2),
CC2,
CASSCF)
exchange–correlation
functionals
(PBE,
PBE0,
CAM-B3LYP)
TD-DFT/TDA
context,
using
isomerization
around
double
bond
test
case.
Different
relaxation
pathways
are
identified,
ability
different
reproduce
their
relative
importance
time
scale
discussed.
The
results
show
that
multireference
should
be
preferred,
when
studying
nonadiabatic
decay
excited
ground
states.
If
not
affordable,
TD-DFT
TDA
hybrid
ADC(2)
efficient
alternatives
but
overestimate
nonradiative
yield
thus
may
miss
deexcitation
pathways.
Chemistry - A European Journal,
Journal Year:
2021,
Volume and Issue:
28(18)
Published: Dec. 29, 2021
Inspired
by
human
vision,
a
diverse
range
of
light-driven
molecular
switches
and
motors
have
been
developed
for
fundamental
understanding
application
in
material
science
biology.
Recently,
the
design
synthesis
visible
actively
pursued.
This
emerging
trend
is
partly
motivated
to
avoid
harmful
effects
ultraviolet
light,
which
was
necessary
drive
classical
at
least
one
direction,
impeding
their
employment
biomedical
photopharmacology
applications.
Moreover,
are
demonstrated
enable
benign
optical
materials
advanced
photonic
devices.
Therefore,
during
past
several
years,
based
on
azobenzene
derivatives,
diarylethenes,
1,2-dicyanodithienylethenes,
hemithioindigo
iminothioindoxyls,
donor-acceptor
Stenhouse
adducts,
overcrowded
alkene
judiciously
designed,
synthesized,
used
development
functional
systems
wide
In
this
Review,
we
present
recent
developments
toward
motors,
with
applications
fabrication
science,
bioscience,
pharmacology,
etc.
The
realized
so
far
undoubtedly
widen
scope
these
interesting
compounds
technological
biological
We
hope
Review
article
could
provide
additional
impetus
inspire
further
research
interests
future
exploration
materials,
systems,
Angewandte Chemie International Edition,
Journal Year:
2020,
Volume and Issue:
59(22), P. 8344 - 8354
Published: Jan. 3, 2020
Abstract
Natural
molecular
machines
require
a
continuous
fuel
supply
to
perform
motions
and/or
remain
in
functional
state.
Consequently,
the
aim
of
developing
artificial
devices
and
materials
with
life‐type
properties
has
motivated
growing
interest
abiotic
chemical
fuels
their
modalities.
Many
have
been
developed
which
sequential
addition
several
reagents
allows
machine
complete
cycles
motion.
Only
recently,
examples
whose
motion
are
triggered
by
single
pulse
reported.
The
latter
systems
object
this
Minireview
where
used
so
far
trigger
described,
particular
emphasis
on
operation
mechanism
machine/fuel
systems.
Angewandte Chemie International Edition,
Journal Year:
2021,
Volume and Issue:
60(33), P. 18223 - 18230
Published: June 11, 2021
Abstract
Similarities
in
sizes,
shapes,
and
physical
properties
between
carbon
dioxide
(CO
2
)
acetylene
(C
H
make
it
a
great
challenge
to
separate
the
major
impurity
CO
from
products
C
production.
The
use
of
porous
materials
is
an
appealing
path
replace
current
very
costly
energy‐consuming
technologies,
such
as
solvent
extraction
cryogenic
distillation;
however,
high
/C
uptake
ratio
with
minor
adsorption
at
standard
pressure
was
only
unexpectedly
observed
scarce
examples
recent
years
although
related
research
started
early
1950s,
general
design
strategies
realize
this
aim
are
still
absent.
This
work
has
successfully
developed
efficient
PIET
strategy
obtained
second
highest
for
proof‐of‐concept
MOF
photochromism‐active
bipyridinium
zwitterion.
An
unprecedented
photocontrollable
gate
effect,
owing
change
interannular
dihedral
after
photoinduced
generation
radical
species,
also
first
time.
These
findings
will
inspire
synthesis
gas
separation.
