Computational study of structural, optoelectronic and nonlinear optical properties of dynamic solid-state chalcone derivatives

Chaudhry, Aijaz Rasool; Irfan, Ahmad; Muhammad, Shabbir; Al‐Sehemi, Abdullah G.; Ahmed, Rashid; Zhang, Jingping

doi:10.1016/j.jmgm.2017.05.012

Cited by 19 publications

(2 citation statements)

References 43 publications

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“…Chalcones are a fundamental unit in various biologically potent compounds and have numerous applications such as anticancer [ 1 , 2 ], anti-inflammatory [ 3 ], antioxidants [ 4 ], antimalarial [ 5 ], antiviral [ 6 ], anti-HIV [ 7 ], antiprotozoal [ 8 ], antimicrobial [ 9 ], antihypertensive [ 10 ], antifungal [ 11 ], antituberculosis [ 12 ], antidiabetic [ 13 ], antiulcer [ 14 ], antileishmanial [ 15 ], etc. In addition to their significance as potential pharmaceutical agents, chalcones are well known for their photochemical [ 16 ], optical [ 17 ], and Non-Linear Optical properties (NLO) [ 18 ] properties. Chalcones have been used as fluorophores in Organic Light-Emitting Diodes(OLED), chemosensors, and fluorescent probes [ 19 , 20 ].…”

Section: Introductionmentioning

confidence: 99%

A Review on Metal Ion Sensors Derived from Chalcone Precursor

2022

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Disclosure of new molecular probes as chromogenic and fluorogenic cation sensors is scientifically exigent work. Recently chalcone derivatives gained more attention because of their structural variability. A suitable donor and acceptor groups separated by delocalized π-orbitals display excellent chromogenic and fluorogenic properties because of intramolecular charge transfer (ICT). These designed molecular frameworks provide the coordination sites to the incoming metal ions results in small changes in the optical properties. In a typical sensing behavior, coordination leads to a large conjugation plane with the probe resulted in hypo/hyperchromic shifts or red/blue shifts. In this review, we tried to converge the reported chalcone-derived sensors and explored the design, synthesis, metal ion sensing mechanism, and practical application of the probes. We expect that this review gives a basic outline for researchers to explore the field of chalcone-based sensors further.

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Section: Introductionmentioning

confidence: 99%

A Review on Metal Ion Sensors Derived from Chalcone Precursor

2022

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“…They present inherent and exceptional antibacterial, antifungal, antitumor and anti-inflammatory properties [1][2][3][4][5][6][7]. In addition, to its intrinsic biological importance, these compounds have conjugated -systems, conferring interesting optical properties, including high extinction coefficients in the UV absorption region and a significant nonlinear optical response, thus they can be considered as: (1) promising candidates in the preparation of novel nonlinear optical (NLO) materials [8][9][10][11][12], (2) organic light emitting diodes (OLED) [13][14][15][16][17] and (3) electrochemical sensors [18][19][20]. Particularity, these type of compounds are attractive, due to the possibility of modulate their electronic properties by embedding electron donors or withdrawing groups into the aromatic ring.…”

Section: Introductionmentioning

confidence: 99%

Substituted Heterocyclic Chalcones: Electrochemical, Spectroscopic and Theoretical Study

Brovelli¹,

Toledo

Ahumada

et al. 2022

J. Chil. Chem. Soc.

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We have studied the electronic and electrochemical properties of seven substituted heterocyclic chalcones (CHL 1-6) wich are functionalized with 2-thienyl groups. The phenyl ring of the chalcone scaffold has been substituted in orto or para position with electron donnor and acceptor groups (-F, -NO2, -CH3O). The electrochemical features were analyzed by cyclic voltammetry; irreversible processes were observed and attributed to the oxidation and reduction of the 2-thienyl group and the carbonyl group of the chalcone, respectively. DFT calculations were made to gain more in-depth understanding of their electronic properties. Relatively high HOMO level and low LUMO values were calculated, Eg values computed varies between 3.0-3.29 eV. These values enable us to postulate that these type of compounds are suitable building blocks to fabricate optoelectronic devices.

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