Adsorption mechanisms investigation of methylene blue on the (0 0 1) zeolite 4A surface in aqueous medium by computational approach and molecular dynamics
The cationic methylene blue (CMB) and its protonated forms have been studied by
computational tools to predict their adsorption behavior on zeolite 4A. The interaction nature …
computational tools to predict their adsorption behavior on zeolite 4A. The interaction nature …
Experimental and DFT insights into molecular structure and optical properties of new chalcones as promising photosensitizers towards solar cell applications
MM Makhlouf, AS Radwan, B Ghazal - Applied Surface Science, 2018 - Elsevier
A new series of (hydroxyl-arylazo)-chalcone derivatives (5a→ e) has been prepared by
condensation of 4-(4-acetylphenyl)-azo dyes 3 with 4-anisaldehyde in basic medium. The …
condensation of 4-(4-acetylphenyl)-azo dyes 3 with 4-anisaldehyde in basic medium. The …
Structural characterizations, Hirshfeld surface analyses, and third-order nonlinear optical properties of two novel chalcone derivatives
We report synthesis, characterizations, structure-property relationships, and third-order
nonlinear optical studies for two new chalcone derivatives,(2E)-1-(anthracen-9-yl)-3-(4 …
nonlinear optical studies for two new chalcone derivatives,(2E)-1-(anthracen-9-yl)-3-(4 …
[HTML][HTML] Structural correlation to linear and non-linear optical properties of Bi3+ ion doped Li2O–SrO–B2O3 glasses: Optical switching and limiting applications
A series of bismuth doped lithium strontium borate glasses are synthetized using melt-
quench technique. Compositional modification resulted in the maximum refractive index …
quench technique. Compositional modification resulted in the maximum refractive index …
Nonlinear optical properties of pyrene-based chalcone:(E)-1-(4′-bromo-[1, 1′-biphenyl]-4-yl)-3-(pyren-1-yl) prop-2-en-1-one, a structure-activity study
The presence of CH… O and π… π stacking, which form a head to tail and face to face
arrangement chain along the b-axis, was shown by single crystal analysis. The small …
arrangement chain along the b-axis, was shown by single crystal analysis. The small …
Third-order nonlinear optical studies of two novel chalcone derivatives using Z-scan technique and DFT method
The present study reports the theoretical and experimental investigations of nonlinear
optical properties of two novel chalcone derivatives namely (2E)-1-(Anthracen-9-yl)-3-(4 …
optical properties of two novel chalcone derivatives namely (2E)-1-(Anthracen-9-yl)-3-(4 …
Molecular structure, Hirshfeld surface and density functional theoretical analysis of a NLO active chalcone derivative single crystal—A quantum chemical approach
C Shruthi, V Ravindrachary, B Guruswamy… - Journal of Molecular …, 2021 - Elsevier
Nonlinear optically active thienyl chalcone, with molecular formula C 16 H 15 ClO 4 S has
been synthesized by adopting claisen-schimdt condensation reaction method. FT-IR and …
been synthesized by adopting claisen-schimdt condensation reaction method. FT-IR and …
Comprehensive study of solvent effects on optical characteristics for novel pyrene-based chalcone compound:(E)-1-(benzo [d][1, 3] dioxol-5-yl)-3-(pyren-1-yl) prop-2 …
Novel pyrene-based chalcone named (E)− 1-(benzo [d][1, 3] dioxol-5-yl)− 3-(pyren-1-yl)
prop-2-en-1-one (abbreviated as BDP) was synthesized to improve the application of …
prop-2-en-1-one (abbreviated as BDP) was synthesized to improve the application of …
Investigation on structural, linear, nonlinear and optical limiting properties of sol-gel derived nanocrystalline Mg doped ZnO thin films for optoelectronic applications
Nanostructured thin films of pure as well as Mg-doped Zinc Oxide (MZO) were successfully
casted on glass substrates through sol-gel technique. X-ray diffraction patterns display that …
casted on glass substrates through sol-gel technique. X-ray diffraction patterns display that …
Three novel Cu (II), Cd (II) and Cr (III) complexes of 6− Methylpyridine− 2− carboxylic acid with thiocyanate: Synthesis, crystal structures, DFT calculations, molecular …
Abstract Novel complexes of 6− methylpyridine− 2− carboxylic acid and thiocyanate {[Cu
(NCS)(6-mpa) 2],(1);[Cd (NCS)(6-mpa)] n,(2);[Cr (NCS)(6-mpa) 2· H 2 O],(3)} were …
(NCS)(6-mpa) 2],(1);[Cd (NCS)(6-mpa)] n,(2);[Cr (NCS)(6-mpa) 2· H 2 O],(3)} were …