Deleted Journal,
Год журнала:
2024,
Номер
120(4), С. 192 - 192
Опубликована: Дек. 26, 2024
La
química
de
los
complejos
metales
transición
con
ligandos
monoaniónicos
bidentados
k2-Si,L
y/o
tridentados
k3-Si,L2—donde
Si
simboliza
un
grupo
sililo
y
L
grupos
neutros
dadores
s
par
electrones—ha
despertado
interés
creciente
en
últimos
años.
Esta
revisión
presenta
principales
avances
logrados
la
aplicación
estos
como
catalizadores
procesos
clave,
son
hidrogenación
hidrosililación
moléculas
insaturadas.
STUDIES IN ENGINEERING AND EXACT SCIENCES,
Год журнала:
2024,
Номер
5(3), С. e12703 - e12703
Опубликована: Дек. 26, 2024
This
study
investigates
the
intricate
interplay
between
electronic
and
steric
factors
in
shaping
Si-P
bond
lengths,
angles,
binding
energies,
charge
distribution,
interaction
energies
silicon-centered
cation-phosphine
base
systems.
A
detailed
analysis
reveals
that
(CH₃)₃Si⁺
exhibits
shortest
lengths
(2.01–2.03
Å),
attributed
to
minimal
hindrance
favorable
overlap.
In
contrast,
(C₂H₅)₃Si⁺
displays
slightly
longer
(2.03–2.05
while
longest
are
observed
Ar₃Si⁺
(2.08–2.10
due
combined
electron-withdrawing
nature
effects
of
aromatic
groups.
Variations
angles
further
demonstrate
influence
bulk
effects,
with
(C₂H₅)₃P
consistently
exhibiting
larger
(e.g.,
120°–121°
for
Ar₃Si⁺)
compared
(CH₃)₃P.
Binding
energy
calculations
identify
most
(-28
kcal/mol)
(CH₃)₃P,
driven
by
an
optimal
balance
geometry
distribution.
Charge
transfer
indicates
donates
more
electron
density
than
consistent
trends
expected
from
considerations.
Natural
Bond
Orbital
(NBO)
confirms
a
strong
negative
correlation
σ-donation
energy,
increased
leading
stronger
interaction,
which
negative.
weaker
interactions
its
These
findings
underscore
critical
role
defining
strengths,
providing
valuable
insights
designing
tailored
silicon-phosphine
complexes
potential
applications
catalysis
material
sciences.
Deleted Journal,
Год журнала:
2024,
Номер
120(4), С. 192 - 192
Опубликована: Дек. 26, 2024
La
química
de
los
complejos
metales
transición
con
ligandos
monoaniónicos
bidentados
k2-Si,L
y/o
tridentados
k3-Si,L2—donde
Si
simboliza
un
grupo
sililo
y
L
grupos
neutros
dadores
s
par
electrones—ha
despertado
interés
creciente
en
últimos
años.
Esta
revisión
presenta
principales
avances
logrados
la
aplicación
estos
como
catalizadores
procesos
clave,
son
hidrogenación
hidrosililación
moléculas
insaturadas.