Facile preparation, characterization, SC-XRD and DFT/DTDFT study of diversely functionalized unsymmetrical bis-aryl-α, β-unsaturated ketone derivatives
The current research work is about the synthesis of diversely functionalized unsymmetrical
mono-carbonyl curcuminoids:(1E, 4E)-1-(2-methoxy-4-nitrophenyl)-5-(4-methoxyphenyl)-2 …
mono-carbonyl curcuminoids:(1E, 4E)-1-(2-methoxy-4-nitrophenyl)-5-(4-methoxyphenyl)-2 …
Physical‐organic aspects along with linear and nonlinear optical properties of benzene sulfonamide compounds: In silico analysis
MY Mehboob, R Hussain, S Jamil… - Journal of Physical …, 2022 - Wiley Online Library
The sulfonamides class of drugs is known due to superb biological and notable nonlinear
optical (NLO) applications. The current study reports detailed computational and …
optical (NLO) applications. The current study reports detailed computational and …
[HTML][HTML] Synthesis, crystal structure analysis, spectral IR, UV–Vis, NMR assessments, electronic and nonlinear optical properties of potent quinoline based derivatives …
Quinoline and its derivatives are widely studied by both synthetic and computational
chemists due to their exciting perspectives in biological and nonlinear optical (NLO) …
chemists due to their exciting perspectives in biological and nonlinear optical (NLO) …
First principles study of electronic and nonlinear optical properties of A–D–π–A and D–A–D–π–A configured compounds containing novel quinoline–carbazole …
Materials with nonlinear optical (NLO) properties have significant applications in different
fields, including nuclear science, biophysics, medicine, chemical dynamics, solid physics …
fields, including nuclear science, biophysics, medicine, chemical dynamics, solid physics …
Quantum Chemical Exploration of A−π1–D1–π2–D2-Type Compounds for the Exploration of Chemical Reactivity, Optoelectronic, and Third-order Nonlinear …
G Mustafa, I Shafiq, Q Shaikh, A Mustafa, R Zahid… - ACS …, 2023 - ACS Publications
Organic compounds exhibit significant nonlinear optical (NLO) properties and can be
utilized in various areas like optical parameters, fiber optics, and optical communication …
utilized in various areas like optical parameters, fiber optics, and optical communication …
Experimental and computational investigations of new indole derivatives: A combined spectroscopic, SC-XRD, DFT/TD-DFT and QTAIM analysis
Indole base derivatives have always been attractive to chemists due to diverse biological,
industrial and optical applications. Novel indole based imines 6a-d [N-substitutedphenyl (4 …
industrial and optical applications. Novel indole based imines 6a-d [N-substitutedphenyl (4 …
[HTML][HTML] Theoretical investigation of nonlinear optical behavior for rod and T-Shaped phenothiazine based D-π-A organic compounds and their derivatives
The exploration of novel materials with excellent nonlinear optical (NLO) features is an area
of frontline investigation for scientific community from technological point of view. This study …
of frontline investigation for scientific community from technological point of view. This study …
Design and synthesis of highly conjugated Electronic Phenanthrolines Derivatives for remarkable NLO properties and DFT analysis
The non-linear optical technology is gaining huge attention to the thermal and mechanical
stability, electrical property, and modulate signal flexibility that could be used in uprising …
stability, electrical property, and modulate signal flexibility that could be used in uprising …
Synthesis of diaminopyrimidine sulfonate derivatives and exploration of their structural and quantum chemical insights via SC-XRD and the DFT approach
Two heterocyclic compounds named 2, 6-diaminopyrimidin-4-ylnaphthalene-2-sulfonate (A)
and 2, 6-diaminopyrimidin-4-yl4-methylbenzene sulfonate (B) were synthesized. The …
and 2, 6-diaminopyrimidin-4-yl4-methylbenzene sulfonate (B) were synthesized. The …
Synthesis, structural, and intriguing electronic properties of symmetrical bis-aryl-α, β-unsaturated ketone derivatives
Three symmetrical bis-aryl-α, β-unsaturated ketone derivatives, 2, 6-di ((E)-benzylidene)-
cyclohexan-1-one (DBC), 2, 6-bis ((E)-4-chlorobenzylidene) cyclohexan-1-one (BCC), and …
cyclohexan-1-one (DBC), 2, 6-bis ((E)-4-chlorobenzylidene) cyclohexan-1-one (BCC), and …
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