Recommanded Product: 4-Methoxybenzaldehyde. In 2021.0 J MOL STRUCT published article about CRYSTAL-STRUCTURE in [Ouksel, Louiza] Univ Ferhat Abbas Setif 1, Dept Genie Proc, Lab Electrochim Mat Mol & Complexes LEMMC, Fac Technol, Setif 19000, Algeria; [Ouksel, Louiza] Univ Ferhat Abbas Setif 1, Dept Genie Proc, Lab Electrochim Mat LEM, Fac Technol, Setif 19000, Algeria; [Bourzami, Riadh] Ferhat Abbas Univ Setif 1, Res Unit Emergent Mat, Setif, Algeria; [Hamdouni, Noudjoud; Boudjada, Ali] Univ Freres Mentouri Constantine 1, Fac Sci Exactes, Dept Phys, Lab Crystallog, Constantine 25000, Algeria in 2021.0, Cited 66.0. The Name is 4-Methoxybenzaldehyde. Through research, I have a further understanding and discovery of 123-11-5.
First, we note in this paper that alpha-Hydroxyphosphonate acid ester was synthesized before; we confirmed it by a new method and its various properties are discussed experimentally and theoretically. The structure of Diethyl [hydroxy(4-methoxyphenyl) methyl] phosphonate (DH4MPMP) resolved by SXRD is compared to the optimized geometry, the FT-IR, NMR, UV-Vis spectroscopies results were compared and discussed experimentally and theoretically. The Hirshfeld surface analyses were employed to determine qualitative and quantitative intermolecular interactions present in the solid state and through, the supramolecular 3D-network was discussed. The UV-Vis spectrum exhibit a strong absorption in middle UV domain and an optical transmittance in the visible one. To be close from the experimental results, all DFT calculations based on B3LYP/6-31G (d,p) were detailed on monomer and dimer models. The DFT calculation of the second-order nonlinear optical properties is based on the first static hyperpolarizability (beta), the results show that the material might have nonlinear optical properties. The calculated frontier molecular orbitals and their energies were calculated. The research was extended to the calculations of the molecular electrostatic potential map; it shows negative potential areas localized around oxygen atoms as well as the positive localized around the hydrogen atoms. Finally, the thermodynamic functions (entropy, heat capacity and enthalpy) were determined from spectroscopic data by statistical methods in the range 100-1000 K and the experimental thermal decomposition behavior was analyzed by TGA. (C) 2020 Published by Elsevier B.V.
Recommanded Product: 4-Methoxybenzaldehyde. About 4-Methoxybenzaldehyde, If you have any questions, you can contact Ouksel, L; Bourzami, R; Hamdouni, N; Boudjada, A or concate me.
Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles