Theoretical model of the n-propylbenzene formation in the benzene isopropylation over zeolites. An anti-Markovnikov-type proton addition promoted by the steric effect of MFI and MEL zeolite channels
Article Abstract:
Ab initio quantum mechanical calculations were used to investigate proton-catalyzed bimolecular reaction of isopropylbenzene with benzene leading to n-propylbenzene. According to computations on the fully relaxed complex of protonated isopropylbenzene and benzene, n-propylbenzene formation cannot be expected on catalysts with nonrestricted reaction space. A constrained model confirmed the existence of a reaction pathway leading to n-propylbenzene formation, affirming experimental data.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1998
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Amphiphilic azobenzenesulfonic acid anionic surfactant for water-soluble, ordered, and luminescent polypyrrole nanospheres
Article Abstract:
The importance of amphiphilic azobenzenesulfonic acid anionic surfactant in the synthesis of water-soluble, ordered and luminescent polypyrrole nanospheres is demonstrated.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
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