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First theoretical framework of triphenylamine–dicyanovinylene-based nonlinear optical dyes: structural modification of π-linkers
This work was inspired by a previous report [Janjua, MRSA Inorg. Chem. 2012, 51, 11306−
11314] in which the nonlinear optical (NLO) response strikingly improved with double …
11314] in which the nonlinear optical (NLO) response strikingly improved with double …
First theoretical probe for efficient enhancement of nonlinear optical properties of quinacridone based compounds through various modifications
In this study, first attempt has been made for theoretical designing of quinacridone (QA) dye
and new QA-based compounds (QA-1 to QA-9) were proposed by installing auxiliary donors …
and new QA-based compounds (QA-1 to QA-9) were proposed by installing auxiliary donors …
Structural modulation of π-conjugated linkers in D–π–A dyes based on triphenylamine dicyanovinylene framework to explore the NLO properties
A donor–π–acceptor type series of Triphenylamine–dicyanovinylene-based chromophores
(DPMN1–DPMN11) was designed theoretically by the structural tailoring of π-linkers of …
(DPMN1–DPMN11) was designed theoretically by the structural tailoring of π-linkers of …
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 …
Influence of azo-based donor modifications on nonlinear optical amplitude of D-π-A based organic chromophores: A DFT/TD-DFT exploration
Organic heterocyclic fused ring compounds possess remarkable nonlinear optical (NLO)
amplitude, are potentially employed in optical computing and nano-photonics. Herein …
amplitude, are potentially employed in optical computing and nano-photonics. Herein …
Quantum Chemical Exploration of A−π1–D1–π2–D2-Type Compounds for the Exploration of Chemical Reactivity, Optoelectronic, and Third-order Nonlinear …
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 …
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 …
A theoretical approach towards designing of banana shaped non-fullerene chromophores using efficient acceptors moieties: Exploration of their NLO response …
Current research has focused on utilization of non-fullerene based organic materials for the
advancement of nonlinear optical (NLO) based technology. The reference compound …
advancement of nonlinear optical (NLO) based technology. The reference compound …
Antibacterial metal complexes of o‐sulfamoylbenzoic acid: Synthesis, characterization, and DFT study
Herein, antibacterial transition metal complexes of ML2 type having o‐sulfamoylbenzoic
acid as ligand were synthesized from saccharin. All characterization techniques confirmed …
acid as ligand were synthesized from saccharin. All characterization techniques confirmed …
Synthesis of crystalline fluoro-functionalized imines, single crystal investigation, Hirshfeld surface analysis, and theoretical exploration
This investigation is focused on the synthesis of two halo-functionalized crystalline Schiff
base (imine) compounds:(E)-2-methoxy-6-(((3-(trifluoromethyl) phenyl) imino) methyl) …
base (imine) compounds:(E)-2-methoxy-6-(((3-(trifluoromethyl) phenyl) imino) methyl) …