Crystal structure, spectroscopic analyses, linear and third-order nonlinear optical properties of anthracene-based chalcone derivative for visible laser protection

Ultrafast Nonlinear Optical and Structure–Property Relationship Studies of Pyridine-Based Anthracene Chalcones Using Z-Scan, Degenerate Four-Wave Mixing, and Computational Approaches

“…By contrast, the anthracene ring system is marginally folded in 3PANC with a maximum deviation at the C12 atom being −0.028(4) Å, compared with 0.015(2) Å at the C13 atom in 2PANC . These structures are closely related to reported structures. ,− The structure overlay root mean square (RMS) value of non-hydrogen atoms in 2PANC and 3PANC is 0.0751 Å, which signifies that both molecule structures are approximate (Figure S3). However, the crystal packing similarity feature using Mercury gave a match of 3 out of 15 molecules with an RMS value of 0.63005, indicating that these compounds have different packings.…”

“…The sharp spikes centered at the bottom left of 2PANC (49%) and 3PANC (47.5%) are H···H interactions. Since these are the pyridine-based chalcones, the N···H interactions of 2PANC (5.2%) and 3PANC (6.7%) were found to be larger than that of the reported nitro-substituted chalcones MNC, ML3NC, 245TMNC, and NANC. , The MEP plots of 2PANC and 3PANC chalcones (Figure ) indicate that a strong negative potential was observed for the carbonyl group (CO) containing oxygen atoms, whereas positive regions are located around all the hydrogen atoms, which indicate possible sites for nucleophilic attack. However, the maximum positive potential was observed for hydrogen atoms, followed by nitrogen groups.…”

Nonlinear nanophotonic devices in the ultraviolet to visible wavelength range

“…In addition to emerging crystalline materials, there is a whole host of new organic materials on the horizon. One simple organic platform is Anthracene (150,153,242,243). This molecule is characterized by its unique structure which consists of three fused benzene rings, giving it a highly conjugated, resonant structure and allowing it to readily pack into a semi-crystalline structure in the condensed phase.…”

“…The reported complex's 𝛘𝛘 (3) can reach as high as 8x10 -11 esu, which is roughly three orders of magnitude higher than typical bulk dielectrics such as SiO2 and ZnO (246). When anthracene is attached along the backbone of a methyl methacrylate repeat unit in PMMA thin films, the enhancement in 𝛘𝛘 (3) is even larger, reaching values of about ~10 -7 esu (243). This is due to the expanded conjugation length, as the polarizable cross-section now spans the length of a polymer chain (~100kDa), allowing for an increased nonlinear response.…”

Enhanced Two-Photon Absorption of Cross-Conjugated Chalcone Derivatives: Modulation of the Effective π-Conjugated Structure

“…As a promising candidate for nonlinear optical (NLO) materials, organic materials have attracted worldwide attention due to their potential applications in optical communications, − all-optical switching, − photodynamic therapy, − data storage, , and optical limiting (OL). − Researchers around the world have made many attempts to improve the molecular NLO performance, including expanding the molecular π-conjugated system, modulating the intensity of intramolecular charge transfer (ICT) and the symmetry of molecular structures, − and so on. − Chalcone derivatives with a typical asymmetric cross-conjugated structure are known for their excellent second harmonic generation (SHG). − At the same time, more and more studies now focus on the regulation of the third-order NLO properties of chalcone derivatives due to their well-defined structural flexibility and functionality. − Many research studies have confirmed that chalcone derivatives are promising OL materials. − …”