Evaluation of electron affinities of quinone derivatives by density functional theory was written by Nafikova, E. P.;Asfandiarov, N. L.;Kalimullina, L. R.;El’kin, Yu. N.. And the article was included in Russian Chemical Bulletin in 2014.Product Details of 605-94-7 This article mentions the following:
A series of quinone derivatives with exptl. determined energies of vertical electron capture (Eva) and (or) adiabatic electron affinities (Ea) are studied by d. functional theory on the DFT/B3LYP/6-31G(d) level. The calculated π*-MO energies are linearly correlated with the Eva values measured by electron transmission spectroscopy and the Ea values known from the electron transfer experiment with a correlation coefficient of 0.997. The adiabatic affinities Ea of quinone derivatives can be evaluated with acceptable accuracy by the B3LYP/6-31G(d) method using a scaling procedure with the shift. In the experiment, the researchers used many compounds, for example, 2,3-Dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione (cas: 605-94-7Product Details of 605-94-7).
2,3-Dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione (cas: 605-94-7) belongs to ethers. Relative to alcohols, ethers are generally less dense, are less soluble in water, and have lower boiling points. They are relatively unreactive, and as a result they are useful as solvents for fats, oils, waxes, perfumes, resins, dyes, gums, and hydrocarbons. Vapours of certain ethers are used as insecticides, miticides, and fumigants for soil. Ethers feature bent C–O–C linkages. In dimethyl ether, the bond angle is 111° and C–O distances are 141 pm. The barrier to rotation about the C–O bonds is low. The bonding of oxygen in ethers, alcohols, and water is similar. In the language of valence bond theory, the hybridization at oxygen is sp3.Product Details of 605-94-7
Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem