Chemically modified quinoidal oligothiophenes for enhanced linear and third-order nonlinear optical properties
In the present investigation, quantum chemical calculations have been performed in a
systematic way to explore the optoelectronic, charge transfer, and nonlinear optical (NLO) …
systematic way to explore the optoelectronic, charge transfer, and nonlinear optical (NLO) …
Single-crystal investigation, Hirshfeld surface analysis, and DFT study of third-order NLO properties of unsymmetrical acyl thiourea derivatives
In the current research work, unsymmetrical acyl thiourea derivatives, 4-((3-
benzoylthioureido) methyl) cyclohexane-1-carboxylic acid (BTCC) and methyl 2-(3 …
benzoylthioureido) methyl) cyclohexane-1-carboxylic acid (BTCC) and methyl 2-(3 …
Exploring the impact of central core modifications among several push-pull configurations to enhance nonlinear optical response
The present study explores a series of novel donor-π-acceptor (D-π-A) molecules containing
4, 4′-dimethyldiphenylamine moiety as donor, 4, 4′-dinitrodiphenylborane as acceptor …
4, 4′-dimethyldiphenylamine moiety as donor, 4, 4′-dinitrodiphenylborane as acceptor …
The substitution effect of heterocyclic rings to tune the optical and nonlinear optical properties of hybrid chalcones: a comparative study
The present study spotlights the hybrid chalcone derivatives consisting of coumarin moieties
conjugated systematically with different heterocyclic rings. The heterocyclic rings including …
conjugated systematically with different heterocyclic rings. The heterocyclic rings including …
Design, characterization and nonlinear optical properties of coumarin appended chalcones: use of a dual approach
In present investigation, we present designing and characterization of coumarin appended
chalcone hybrids using a dual approach consisting of experimental and computational …
chalcone hybrids using a dual approach consisting of experimental and computational …
Quantum chemical tailoring of intrinsic donor–acceptor configurations as efficient nonlinear optical materials
Laser optics are playing a crucial role in modern hi-tech applications. Nonlinear optical
(NLO) materials are key components to modulate laser optics. In the current study, unlike …
(NLO) materials are key components to modulate laser optics. In the current study, unlike …
Insighting the systematic impact of shape, size and substitution of heteroatoms in quinoidal oligomers to tune their optoelectronic properties
In the present investigation, a variety of quinoidal oligomers with different arrangements and
distinctive fused shapes of thiophene rings are studied. These quinoidal oligomers were …
distinctive fused shapes of thiophene rings are studied. These quinoidal oligomers were …
A systematic study of the effects of thionation in naphthalene dimide derivatives to tune their nonlinear optical properties
In the present study, the number and position of sulfur atoms on naphthalene diimide (NDI)
is systematically investigated to tune its nonlinear optical (NLO) response properties. Our …
is systematically investigated to tune its nonlinear optical (NLO) response properties. Our …
Exploring the quinoidal oligothiophenes to their robust limit for efficient linear and nonlinear optical response properties
The possibility of tuning the chemical structures of oligothiophenes offers various
applications in designing of optoelectronics and nonlinear optical (NLO) materials. In the …
applications in designing of optoelectronics and nonlinear optical (NLO) materials. In the …
Performance of density functional theory for calculating the electronic, static, and dynamic nonlinear optical properties of asymmetric (3E,5E)-3,5-dibenzylidene …
The electronic charge delocalization in organic compounds with a donor–acceptor system
allows them to exhibit excellent nonlinear optical characteristics. From the perspective of …
allows them to exhibit excellent nonlinear optical characteristics. From the perspective of …