Investigations on growth, XRD, strain, FTIR, UV–Vis NIR, photoluminescence, SHG, and Z-scan analyses of L-cysteine picrate single crystal for NLO and optical limiting applications
Inorganic Chemistry Communications,
Год журнала:
2023,
Номер
159, С. 111751 - 111751
Опубликована: Ноя. 19, 2023
Язык: Английский
Synthesis, crystal growth and characterization of a novel semi-organic p-toluidine cadmium chloride single crystal for nonlinear optical (NLO) applications
Journal of Materials Science Materials in Electronics,
Год журнала:
2025,
Номер
36(4)
Опубликована: Фев. 1, 2025
Язык: Английский
Growth and characterization of high-quality and large-scale piperazinium bis (trifluoroacetate) single crystal using the immersing ampoule Sankaranarayanan–Ramasamy (ISR) method for nonlinear optical applications
Journal of Materials Science Materials in Electronics,
Год журнала:
2025,
Номер
36(4)
Опубликована: Фев. 1, 2025
Язык: Английский
Non linear optical property of 4-aminopyridinium 2-chloro-5-nitrobenzoate
Indian Journal of Physics,
Год журнала:
2024,
Номер
98(12), С. 4115 - 4123
Опубликована: Апрель 6, 2024
Язык: Английский
Synthesis, Crystal Growth, Optical, Thermal, Piezoelectric and Laser Damage Threshold Characterization of Aniline-4-Sulphonic Acid for Nonlinear Optical (NLO) Applications
Brazilian Journal of Physics,
Год журнала:
2024,
Номер
54(4)
Опубликована: Май 4, 2024
Язык: Английский
Growth, elemental, spectral, linear, photoconductivity, dielectric, thermal, and Z-scan analysis of benzotriazolium oxalate dihydrate single crystal for third-order harmonic generation applications
T. Sundareswaran,
S. Manikandan,
P. Rajesh
и другие.
Journal of Materials Science Materials in Electronics,
Год журнала:
2024,
Номер
36(1)
Опубликована: Дек. 23, 2024
Язык: Английский
Molecular Structure, Molecular Docking and Molecular Dynamic Simulation of 3,7-Dihydroxy-1,2-Dimethoxyxanthone for its Anticancer Activity
Опубликована: Янв. 1, 2024
A
naturally
occurring
xanthone,
named
3,7-dihydroxy-1,2-dimethoxyxanthone
was
experimentally
and
computationally
investigated
for
its
anticancer
activity.
Single
crystal
X-ray
diffraction
(XRD)
analysis
revealed
that
the
compound
crystallises
in
triclinic
space
group
P1
with
a
=
7.0454(7),
b
7.5955(9),
c
12.3462(14)
Å,
𝛼
95.700(4),
β
𝛾
108.802(4)°,
Z
2.
Vibrational
frequencies
(IR,
UV
NMR),
electronic
properties,
chemical
reactivity
descriptors,
molecular
structure
of
were
by
DFT
calculations
using
Gaussian
09
package
at
B3LYP/6-311+G*
level
theory.
All
showed
correlations
to
experimental
data.
Analysis
descriptors
indicated
hard
electrophilic
molecule.
While
first
order
hyperpolarizability
value
indicative
good
nonlinear
optical
(NLO)
material
whose
stability
arising
from
hyperconjugative
interactions
charge
delocalisation
analysed
natural
bond
orbital
(NBO).
Thermodynamic
parameters
title
molecule
various
temperatures
are
presented.
The
docked
on
proteins
prostate,
cervical,
breast,
melanoma
cancer
cells,
results
comparable
binding
energies
standard
chemotherapeutic
agent,
doxorubicin
small
differences
range
0.2−0.7
kcal
mol−1.
Given
significant
potential
prostate
cervical
cell
lines,
dynamic
properties
bound
state
ligand
two
selected
further
examined
through
200
ns
Molecular
Dynamics
(MD)
simulation.
relatively
overall
higher
simulation
time
than
free
target.
these
findings
afterwards
confirmed
vitro
cytotoxic
activity
compound,
which
has
inhibiting
against
human
lines
IC50
values
9.55
9.19
µM,
respectively
comparison
drug,
additionally
demonstrated
innocuousness
towards
normal
kidney
lines.
Язык: Английский
An Investigation on Structural, Optical, Thermal, and Dielectric Analysis of L-Lysine Iodide Semiorganic Nonlinear Optical Single Crystal for Opto-electronic Application
Brazilian Journal of Physics,
Год журнала:
2024,
Номер
54(6)
Опубликована: Авг. 28, 2024
Язык: Английский
Novel Strategy of Treating 2-Nitrobenzoic Acid Crystals with Energetic N2 Neutrals Using Cold Plasma
Processes,
Год журнала:
2024,
Номер
12(11), С. 2336 - 2336
Опубликована: Окт. 24, 2024
The
organic
adduct
compounds
of
2-nitrobenzoic
acid
crystals
were
grown
as
optically
transparent
using
the
conventional
slow
evaporation
solution
technique.
powdered
and
irradiated
with
cold
plasma.
Cell
parameter
analysis
confirmed
formation
a
new
crystalline
material
that
resides
in
triclinic
P
crystal
system
space
group
P1.
Fourier
transform
infrared
spectra
recorded
KBr
pellet
technique
to
determine
vibrational
functional
groups
compound.
Powder
X-ray
diffraction
was
used
reveal
orientation
samples
crystals.
obtained
full
width
at
half
maximum
for
(001)
plane
XRD
spectrum
indicates
excellent
quality
UV–Vis
absorption
possess
cut-off
edges
wavelengths
428
nm
353
354
pure
plasma-treated
samples,
respectively.
optical
energy
bandgaps
found
be
2.0,
2.25,
4.06,
4.02
eV
photoluminescence
show
blue
emissions
crystal.
FE-SEM
images
morphological
modifications
which
rounded
platelets
appear
on
surfaces
treated
Язык: Английский
Experimental and theoretical studies on the immersed Sankaranarayanan-Ramasamy method grown 1,2,3-benzotriazolium dihydrogen phosphate (BTDHP) single crystal for third-order nonlinear optical (NLO) applications
Journal of Materials Science Materials in Electronics,
Год журнала:
2024,
Номер
35(35)
Опубликована: Дек. 1, 2024
Язык: Английский