An article Structural and femtosecond third-order nonlinear optical properties of electron donor- acceptor substituted chalcones: An experimental and computational approach WOS:000569382300005 published article about MOLECULAR-STRUCTURE; 1ST-ORDER HYPERPOLARIZABILITY; 1ST HYPERPOLARIZABILITY; FT-RAMAN; PROP-2-EN-1-ONE; DERIVATIVES; CRYSTAL; DFT; LI; ABSORPTION in [Patil, Parutagouda Shankaragouda; Gummagol, Neelamma B.; Ekbote, Anusha; Maidur, Shivaraj R.] KLE Inst Technol, Dept Phys, Hubballi 580030, Karnataka, India; [Ekbote, Anusha] KLSs Gogte Inst Technol, Dept Phys, Belagavi 590010, Karnataka, India; [Wong, Qin Ai; Quah, Ching Kheng] Univ Sains Malaysia, Sch Phys, Xray Crystallog Unit, George Town 11800, Malaysia; [Shkir, Mohd] King Khalid Univ, Fac Sci, Dept Phys, Adv Funct Mat & Optoelect Lab AFMOL, POB 9004, Abha 61413, Saudi Arabia; [Rao, S. Venugopal] Univ Hyderabad, Adv Ctr Res High Energy Mat ACRHEM, Hyderabad 500046, India in 2020.0, Cited 68.0. The Name is 1-(4-Nitrophenyl)ethanone. Through research, I have a further understanding and discovery of 100-19-6. Formula: C8H7NO3
Structural and third-order nonlinear optical (NLO) properties of two D-pi-A-pi-A [(2E)-3-(3-chlorophenyl)-1-(3-nitrophenyl)prop-2-en-1-one (3C3NC) and (2E)-3-(4-fluorophenyl)-1-(4-nitrophe nyl)prop-2-en-1-one (FNC)] and one D-pi-A-pi-D [(2E)-1-(9-anthryl)-3-(4-fluorophenyl) prop-2-en-1-one (FANC)] type chalcone derivatives were investigated experimentally as well as theoretically. All the three chalcones are centrosymmetric (CS) and crystallized in P2(1)/c space group. In crystal packing, all compounds exhibit CeH center dot center dot center dot O hydrogen bonds and pi center dot center dot center dot pi interactions. From UV-Vis-NIR absorption spectra, the cut-off wavelength and optical band gaps of the chalcones were evaluated. The thermal stability and the melting point of the chalcones were determined from the TGA/DTA techniques. The ultrafast third-order NLO properties of the three chalcones in solution (0.01 M) were evaluated by Z-scan technique using femtosecond (fs) pulses from Ti: Sapphire laser (similar to 150 fs, 80 MHz, 800 nm). Third-order nonlinear absorption (NLA) coefficient (beta similar to 10(-9) cmW(-1)), nonlinear refraction (NLR) index (n(2)similar to 10(-14) cm(2)W(-1)), susceptibility (chi((3)) similar to 10(-12) esu) and molecular hyperpolarizability (gamma(h) similar to 10(-31) esu) were unambiguously determined. The chalcones satisfy the condition to observe reverse saturable absorption (RSA) mechanism (sigma(ex) > sigma(g)). Further, the larger values of sigma(ex)/sigma(g) (similar to 2-3) indicate that the chalcones would exhibit remarkable optical limiting property. The estimated optical limiting (OL) threshold values are in the order of mu J/cm(2). Further, all the chalcones have satisfied the one-photon and two-photon figures of merit conditions (W > 1 and T < 1) for the optical switching applications. In addition to experimental findings, the optimized geometry, HOMO-LUMO energy gap, NLO parameters such as electronic dipole moment, polarizability, first and second hyperpolarizabilities of all the three chalcones were determined theoretically (DFT) for different wavelength at B3LYP/6-311 thorn G (d,p) basic set. The experimentally determined second-order susceptibilities (Z-scan technique) are reasonably in agreement with the computational values (TD-DFT). The MEP surface revealed that the 3C3NC, FNC and FANC molecules have some potential sites for electrophilic and nucleophilic attack. The experimental and computational NLO data clearly suggest that the nonlinearity of chalcone molecules greatly depends on the electron donor and acceptor strengths of the substituents. Further, all the chalcones are potential materials for optical limiting and optical switching applications. (C) 2020 Elsevier B.V. All rights reserved. Bye, fridends, I hope you can learn more about C8H7NO3, If you have any questions, you can browse other blog as well. See you lster.. Formula: C8H7NO3
Reference:
Benzodioxan,
,1,4-Benzodioxane | C8H8O2 – PubChem