Reaction sites of N,N′-substituted p-phenylenediamine antioxidants
-
I. Kortišová
,
M. Breza
Abstract
The geometries of N,N′-diphenylbenzene-1,4-diamine (DPPD), N-phenyl-N′-(1-phenylethyl)benzene-1,4-diamine (SPPD), N-(4-methylpentan-2-yl)-N′-phenylbenzene-1,4-diamine (6PPD), N-propan-2-yl-N′-phenylbenzene-1,4-diamine (IPPD), N-(2-methoxybenzyl)-N′-phenylbenzene-1,4-diamine (MBPPD), and N-phenyl-N′-(2-phenylpropan-2-yl)benzene-1,4-diamine (CPPD) as well as of their dehydrogenation products were optimized by the semiempirical AM1 method. The results support the idea of stable NB=CX structures formation during the consecutive dehydrogenation of SPPD, 6PPD, IPPD, and MBPPD antioxidants. The biradicals formed during the second step of dehydrogenation of substituted phenylenediamines might be important for their antioxidant effectiveness.
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© 2007 Institute of Chemistry, Slovak Academy of Sciences
Articles in the same Issue
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Articles in the same Issue
- Evaluation and interlaboratory validation of a GC-MS method for analysis of pesticide residues in teas
- Protective effects of vitamin E against CCl4-induced hepatotoxicity in rabbits
- Influence of composition on corroding process of Na2O-K2O-CaO-ZrO2-SiO2 glasses
- Effects of type and number of impellers and liquid viscosity on the power characteristics of mechanically agitated gas—liquid systems
- Modelling of composting of food waste in a column reactor
- Comparison of chemical properties of food products processed by conventional and ohmic heating
- Electrical resistivity and photoluminescence of lead iodide crystals
- Effect of microwave irradiation on the reactivity of chloroarenes in Suzuki—Miyaura reaction
- Kinetics of extraction of coal-tar pitch components with supercritical carbon dioxide
- Mechanism of photocatalytic oxidation of gaseous ethanol
- Kinetics and mechanism of hydroboration of oct-1-and-4-ene by dimeric dialkylboranes
- Reaction sites of N,N′-substituted p-phenylenediamine antioxidants
- Theoretical study of solvent effect on π-EDA complexation II. Complex between TCNE and two benzene molecules
