Safety of 1-(4-Nitrophenyl)ethanone. In 2021.0 STRUCT CHEM published article about ELECTRONIC POPULATION ANALYSIS; MOLECULAR WAVE FUNCTIONS; INDEPENDENT CHEMICAL-SHIFTS; PHYSICAL INTERPRETATION; INTRAMOLECULAR INTERACTIONS; PHYSICOCHEMICAL PROPERTIES; THEORETICAL APPROACH; TEMPERATURE CRYSTAL; HAMMETT CONSTANTS; ORGANIC-COMPOUNDS in [Jezuita, Anna; Ejsmont, Krzysztof] Opole Univ, Fac Chem, Oleska 48, PL-45052 Opole, Poland; [Jezuita, Anna] Jan Dlugosz Univ Czestochowa, Fac Sci & Technol, Armii Krajowej 13-15, PL-42200 Czestochowa, Poland; [Szatylowicz, Halina] Warsaw Univ Technol, Fac Chem, Noakowskiego 3, PL-00664 Warsaw, Poland in 2021.0, Cited 126.0. The Name is 1-(4-Nitrophenyl)ethanone. Through research, I have a further understanding and discovery of 100-19-6.
Numerous studies on nitro group properties are associated with its high electron-withdrawing ability, by means of both resonance and inductive effect. The substituent effect of the nitro group may be well described using either traditional substituent constants or characteristics based on quantum chemistry, i.e., cSAR, SESE, and pEDA/sEDA models. Interestingly, the cSAR descriptor allows to describe the electron-attracting properties of the nitro group regardless of the position and the type of system. Analysis of classical and reverse substituent effects of the nitro group in various systems indicates strongpi-electron interactions with electron-donating substituents due to the resonance effect. This significantly affects thepi-electron delocalization of the aromatic ring decreasing the aromatic character, evidenced clearly by HOMA values. Use of the pEDA/sEDA model allows to measure the population of electrons transferred from the ring to the nitro group.
Safety of 1-(4-Nitrophenyl)ethanone. About 1-(4-Nitrophenyl)ethanone, If you have any questions, you can contact Jezuita, A; Ejsmont, K; Szatylowicz, H or concate me.
Reference:
Benzodioxan,
,1,4-Benzodioxane | C8H8O2 – PubChem