Enriching NLO efficacy via designing non-fullerene molecules with the modification of acceptor moieties into ICIF2F: an emerging theoretical approach
Non-fullerene (NF)-based compounds have attracted much attention as compared to
fullerene-based materials because of their promising optoelectronic properties, lower …
fullerene-based materials because of their promising optoelectronic properties, lower …
Linear and nonlinear optical responses of nitrobenzofurazan-sulfide derivatives: DFT-QTAIM investigation on twisted intramolecular charge transfer
B Abdelaziz, I Chérif, B Gassoumi… - The Journal of …, 2023 - ACS Publications
In this study, we report on the green fluorescence exhibited by nitrobenzofurazan-sulfide
derivatives (NBD-S i, i= 1–4). The optical responses of these studied compounds in a polar …
derivatives (NBD-S i, i= 1–4). The optical responses of these studied compounds in a polar …
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 …
Efficient synthesis of imine-carboxylic acid functionalized compounds: Single crystal, Hirshfeld surface and quantum chemical exploration
Two aminobenzoic acid based crystalline imines (HMBA and DHBA) were synthesized
through a condensation reaction of 4-aminobenzoic acid and substituted benzaldehydes …
through a condensation reaction of 4-aminobenzoic acid and substituted benzaldehydes …
Efficient synthesis, spectroscopic characterization, and nonlinear optical properties of novel salicylaldehyde-based thiosemicarbazones: experimental and theoretical …
Currently, we reported the synthesis of six novel salicylaldehyde-based thiosemicarbazones
(BHCT1–HBCT6) via condensation of salicylaldehyde with respective thiosemicarbazide …
(BHCT1–HBCT6) via condensation of salicylaldehyde with respective thiosemicarbazide …
First theoretical probe for efficient enhancement of optical nonlinearity via structural modifications into phenylene based D–π–A configured molecules
The design of nonlinear optical (NLO) materials using conjugated molecules via different
techniques is reported in the literature to boost the use of these systems in NLO. Therefore …
techniques is reported in the literature to boost the use of these systems in NLO. Therefore …
(E)-2-((3-nitrophenyl) diazenyl)-3-oxo-3-phenylpropanal: experimental, DFT studies, and molecular docking investigations
EC Agwamba, H Louis, I Benjamin, CG Apebende… - Chemistry Africa, 2022 - Springer
In 2019 alone, the WHO declared about 325 million people worldwide to be infected with
hepatitis, resulting to mortality of about 1.4 million annually. In this study the potential of (E)-2 …
hepatitis, resulting to mortality of about 1.4 million annually. In this study the potential of (E)-2 …
Influence of end-capped modifications in the nonlinear optical amplitude of nonfullerene-based chromophores with a D− π–A architecture: a DFT/TDDFT study
Nonlinear optical (NLO) materials have several uses in many fields such as solid physics,
biology, medicine, nuclear physics, and material research. Therefore, a series of …
biology, medicine, nuclear physics, and material research. Therefore, a series of …
D-π-A push-pull chromophores based on N, N-Diethylaniline as a donor for NLO applications: effects of structural modification of π-linkers
Three metal-free organic compounds based on N, N-Diethylaniline as a donor, and 2-(3-
cyano-5, 5-dimethylfuran-2 (5H)-ylidene) malononitrile as an acceptor of electrons with the …
cyano-5, 5-dimethylfuran-2 (5H)-ylidene) malononitrile as an acceptor of electrons with the …
Deciphering the role of alkali metals (Li, Na, K) doping for triggering nonlinear optical (NLO) properties of t-graphene quantum dots: toward the development of giant …
Nanoscale nonlinear optical (NLO) materials have received huge attention of the scientists
in current decades because of their enormous applications in optics, electronics, and …
in current decades because of their enormous applications in optics, electronics, and …