Related Products of 2210-74-4, As an important bridge between the micro and macro material world, chemistry is one of the main methods and means for humans to understand and transform the material world. 2210-74-4, Name is 1-(2-Methoxyphenoxy)-2,3-epoxypropane, SMILES is COC1=C(OCC2CO2)C=CC=C1, belongs to dioxoles compound. In a article, author is Vokin, AI, introduce new discover of the category.
AM1 study of photoelectronic spectra .8. Direct calculations of ionization in the study of conformations of some methoxy-substituted benzenes
Ionization energies of four model compounds with known conformations, i.e., benzo-1,3-dioxole, 2-methoxyphenol, benzo-1,3-dioxole-5-carbaldehyde (piperonal), and 4-hydroxy-3-methoxybenzaldehyde, have been calculated by the ab initio AM1 method, using the formalized scheme of configuration interactions. It has been demonstrated that this method is adequate for the study of photoelectronic spectra of methoxy(hydroxy)-substituted benzenes. The ionization energies of 1,2-dimethoxybenzene, 3,4-dimethoxybenzaldehyde, and 4-hydroxy-3,5-dimethoxybenzaldehyde have been calculated for various orientations of the o-methoxy(hydroxy) groups. It has been revealed that three first ionization potentials corresponding to the states with vacancies on the pi-MO depend on the torsion angle. It has been established by comparison of calculated and experimental ionization potentials that in gas the compounds with adjacent methoxy groups have one O-Me bond parallel with the plane of the benzene ring, while another group is nearly perpendicular to this plane. Conformations of the heavy-atom framework are planar for gaseous molecules with adjacent methoxy and hydroxy groups.
Related Products of 2210-74-4, Because enzymes can increase reaction rates by enormous factors and tend to be very specific, typically producing only a single product in quantitative yield, they are the focus of active research.you can also check out more blogs about 2210-74-4.
Reference:
1,3-Benzodioxole – Wikipedia,
,Dioxole | C3H4O2 – PubChem