Authors Badran, I; Tighadouini, S; Radi, S; Zarrouk, A; Warad, I in ELSEVIER published article about in [Badran, Ismail; Warad, Ismail] Qatar Univ, Dept Chem & Earth Sci, POB 2713, Doha, Qatar; [Tighadouini, Said] Hassan II Univ, Fac Sci Ain Chock, Lab Organ Synth Extract & Valorizat, Route Jadida Km 2,BP 5366, Casablanca, Morocco; [Radi, Smaail] Mohammed First Univ, Lab Appl & Environm Chem LCAE, Oujda, Morocco; [Zarrouk, Abdelkader] Mohammed V Univ, Fac Sci, Lab Mat Nanotechnol & Environm, Av I Bn Battouta,Box 1014, Rabat, Morocco in 2021.0, Cited 57.0. Recommanded Product: 100-19-6. The Name is 1-(4-Nitrophenyl)ethanone. Through research, I have a further understanding and discovery of 100-19-6
Hydrazine derivatives have a wide variety of applications in organic synthesis, material science, medical treatments, as well as the dye-sensitized solar cells (DSSC). In this work, the molecular structure, electronic spectra and first principles investigation for the exo-endo isomerization in (1E,2E)-bis[1-(4-nitrophenyl)ethylidene]hydrazine were studied. The structural interactions and synthon formations have been determined experimentally via Hirshfeld surface analysis (HSA) and two-dimensional fingerprint plots (2D-FP). Furthermore, the solid-state XRD/HSA interactions have been used to explain the physical behavior of the compound. The transition state for the exo-endo isomerization was located using density functional theory (DFT). The activation barrier is estimated to be 110.5 kJ/mol (in vacuo). The endo isomer was found to be slightly more stable than the exo one. The UV-Vis spectra of the two isomers were obtained using time-dependent density functional theory (TDDFT) and compared to the experimental spectra in vacuo, water, and methanol. To explore the potential of the new compound as a DSSC sensitizer, the emission spectrum was also constructed by optimizing the singlet electronic excited state. (C) 2020 The Author(s). Published by Elsevier B.V.
Recommanded Product: 100-19-6. About 1-(4-Nitrophenyl)ethanone, If you have any questions, you can contact Badran, I; Tighadouini, S; Radi, S; Zarrouk, A; Warad, I or concate me.
Reference:
Benzodioxan,
,1,4-Benzodioxane | C8H8O2 – PubChem