Anthracene-incorporated cyanostilbene based donor–acceptor systems: intramolecular charge transfer and aggregation induced emission

C, Femina; Madhavan, Shyamala; Sajith, P. K.; Thomas, Reji

doi:10.1039/d3nj00478c

Cited by 3 publications

(3 citation statements)

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“…Stimuli-responsive materials with different π-conjugated structures have evolved as new-generation functional materials due to their intriguing optoelectronic properties and their subtle tunability. , Among the π-conjugated molecular systems, cyanostilbene-based assemblies are the most promising candidates for various optoelectronic applications owing to their aggregation-induced enhanced emission properties (AIEE). − Literature shows that the cyanostilbene derivatives are employed as multifunctional building blocks for various applications such as organic solar cells, organic field effect transistors, organic light-emitting diodes, liquid crystal displays, bioimaging, sensing, etc. ,− In addition, the cyanostilbene systems are well explored for the response to multiple stimuli such as pressure, temperature, light, solvent, and pH. ,− …”

Section: Introductionmentioning

confidence: 99%

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Theoretical Insights into the Structural and Optical Properties of D−π–A-based Cyanostilbene Systems of α and β Variants

Femina,

Sajith,

Remya

et al. 2024

ACS Omega

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The π-conjugated organic molecules containing cyanostilbene motifs have been extensively investigated due to their great potential applications in several optoelectronic and biological fields. Developing efficient molecules in this respect requires strategic structural engineering and a deep understanding of the structure–property relationship at the molecular level. In this context, understanding the impact of positional isomerism in cyanostilbene systems is a fundamental aspect of designing desired materials with improved photophysical properties. Herein, we designed ten donor–π–acceptor (D−π–A) type cyanostilbene derivatives (P 1 – P 10 ) with different π linkers and compared their structural and optoelectronic properties arising from the positional variations of the –CN group (α and β- variations) through the utilization of density functional theory (DFT) and time-dependent DFT (TDDFT) methods. The topological analyses of the electron density are used to explain the relatively high stability of α isomer compared to that of β. Frontier molecular orbital analysis reveals that 17 molecules tend to show a reduced highest occupied molecular orbital–lowest unoccupied molecular orbital gap, and most of them showed a greater nonlinear optical (NLO) character compared to the parent molecule. TDDFT calculations indicate that β isomers show higher absorption maxima compared to their α counterparts. Among all the scrutinized molecules, the absorption maximum extended up to 602 nm for P 9 and it possesses the highest first-order hyperpolarizability. This study sheds light on positional isomers and their reactivity, absorption spectra, and NLO properties of D−π–A type architecture that can be suitably tuned by appropriating the π-bridge for practical applications.

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Section: Introductionmentioning

confidence: 99%

“… 4 , 6 − 11 In addition, the cyanostilbene systems are well explored for the response to multiple stimuli such as pressure, temperature, light, solvent, and pH. 5 , 12 − 14 …”

Section: Introductionmentioning

confidence: 99%

Theoretical Insights into the Structural and Optical Properties of D−π–A-based Cyanostilbene Systems of α and β Variants

Femina,

Sajith,

Remya

et al. 2024

ACS Omega

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“…The developed AIE molecules can be widely used in biological, materials, and optoelectronic realms. [13][14][15][16][17][18][19][20][21][22] Through non-covalent interactions, low molecular weight gelators build supramolecular hydrogels in water or a combination of water and an organic solvent. Thus, the domains of nanodevices, biomaterials, drug transport and release, chemical sensors, catalyst carriers, gas adsorption, and storage showed promising prospects for the application of supramolecular hydrogels.…”

Section: Introductionmentioning

confidence: 99%

Luminogenic and Bactericidal Studies of an Acrylonitrile‐Based AIEgen

De,

Ghosh,

Das

2024

Chemistry An Asian Journal

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We have synthesized an aggregation induced emissive molecule that exhibits promising photophysical characteristics. The aggregating aptitude is demonstrated by binary solvent mixture and it is emissive in both solution and solid state. The luminogenic characteristics are employed in creating fluorescent inks as well as for the detection of nitro antibiotics in biofluids and in solid support. Moreover, the acrylonitrile‐based compound is bactericidal tested on E. coli and B. subtilis.

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Mechanofluorochromic property of coumarin derivatives containing carbonyl group

Zhang,

Xu,

et al. 2024

Journal of Luminescence

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Anthracene-incorporated cyanostilbene based donor–acceptor systems: intramolecular charge transfer and aggregation induced emission

Abstract: Cyanostilbene systems are highly attractive due to their fascinating fluorescence properties in the solid state. Herein, we report the synthesis and photophysical properties of highly emissive donor-acceptor systems based on...

Cited by 3 publications

References 59 publications

Theoretical Insights into the Structural and Optical Properties of D−π–A-based Cyanostilbene Systems of α and β Variants

Theoretical Insights into the Structural and Optical Properties of D−π–A-based Cyanostilbene Systems of α and β Variants

Luminogenic and Bactericidal Studies of an Acrylonitrile‐Based AIEgen

Mechanofluorochromic property of coumarin derivatives containing carbonyl group

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