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  • electron acceptors  (1)
  • substituted anilines  (1)
  • 1
    ISSN: 1572-879X
    Keywords: spinel structure ; ferrites ; pyridine methylation ; electron acceptors
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract A series of Ni–Co ferrites with the general formula Ni1-x Co x Fe2O4 (x = 0, 0.2, 0.5, 0.8 and 1.0) was prepared by a low-temperature hydroxide coprecipitation route. The catalyst systems were characterized by adopting various physico-chemical techniques. Alkylation of pyridine with methanol was carried out in a down-flow vapor-phase reactor. The influence of surface acid–base properties, cation distribution in the spinel lattice and various reaction parameters are discussed. It was observed that the systems possessing x values ≥0.5 are selective for 3-picoline formation, whereas the ones with x values 0 and 0.2 give a mixture of 2- and 3-picolines. Pyridine conversion increased with the progressive substitution of Ni2+ ions by Co2+ ions. Cation distribution in the spinel lattice influences their acidic and basic properties, and these factors have been adequately considered as helpful to evaluate the activity of the systems.
    Type of Medium: Electronic Resource
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  • 2
    ISSN: 1572-879X
    Keywords: molecular modeling ; substituted anilines ; diffusion characteristics ; shape selectivity ; large‐ and medium‐pore zeolites ; aromatic acylation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Energy minimization methodology is used to study the interaction of substituted aniline molecules in various zeolites. The adsorption sites inside the zeolite channels and the diffusion characteristics of acylated products of 4‐aminophenol are analyzed in detail. The selective formation of 4‐hydroxyacetanilide, which is a pharmaceutically important compound, over various zeolites is studied. Three large‐pore zeolites having 12‐MR channel systems are selected: (i) zeolite‐L with barrel‐shaped cages, (ii) mazzite with circular pores and (iii) mordenite with elliptical pores and side pockets. The diffusion characteristics of the molecules are sensitive to pore architecture. The calculated diffusion energies do not indicate product selectivity in large‐pore zeolites. Further, a study of diffusion inside the pores of ZSM‐5, a medium‐pore zeolite with 10‐MR channel system, reveals that the C‐acylated products have significantly larger diffusion energy barriers than the N‐acylated products. The results are also useful in understanding the mode of interaction of the molecules with the zeolite framework.
    Type of Medium: Electronic Resource
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