{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,11,13]],"date-time":"2025-11-13T21:51:17Z","timestamp":1763070677719,"version":"build-2065373602"},"reference-count":43,"publisher":"MDPI AG","issue":"2","license":[{"start":{"date-parts":[[2011,2,21]],"date-time":"2011-02-21T00:00:00Z","timestamp":1298246400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/3.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>Tonsil Actisil FF, a commercial bentonitic clay, promotes the formation of a series of electrophilic-aromatic-substitution products from para-methoxybenzyl acetate in carbon disulfide. The molecules obtained correspond to linear isomeric dimers, trimers, tetramers and a pentamer, according to their spectroscopic data. A clear indication of the title mechanistic pathway for the oligomerization growth was obtained from the analysis of a set of computational-chemistry calculations using the density-functional-theory level B3LYP\/6-311++G(d,p). The corresponding conclusions were based on the computed dipole moments, the HOMO\/LUMO distributions, and a natural-populations analysis of the studied molecules.<\/jats:p>","DOI":"10.3390\/molecules16021761","type":"journal-article","created":{"date-parts":[[2011,2,21]],"date-time":"2011-02-21T23:24:15Z","timestamp":1298330655000},"page":"1761-1775","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":6,"title":["Effects of Bentonite on p-Methoxybenzyl Acetate: A Theoretical Model for Oligomerization via an Electrophilic-Substitution Mechanism"],"prefix":"10.3390","volume":"16","author":[{"given":"Manuel","family":"Salm\u00f3n","sequence":"first","affiliation":[{"name":"Instituto de Qu\u00edmica de la Universidad Nacional Aut\u00f3noma de M\u00e9xico, Circuito Exterior, Ciudad Universitaria Coyoac\u00e1n 04510, M\u00e9xico, D.F., Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Rene","family":"Miranda","sequence":"additional","affiliation":[{"name":"Secci\u00f3n de Qu\u00edmica Inorg\u00e1nica, Fisicoqu\u00edmica y Qu\u00edmica Org\u00e1nica, Departamento de Ciencias Qu\u00edmicas, Facultad de Estudios Superiores Cuautitl\u00e1n, Universidad Nacional Aut\u00f3noma de M\u00e9xico, Cuatitl\u00e1n Izcalli, 54740, Estado de M\u00e9xico, Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0722-5045","authenticated-orcid":false,"given":"Ines","family":"Nicol\u00e1s-V\u00e1zquez","sequence":"additional","affiliation":[{"name":"Secci\u00f3n de Qu\u00edmica Inorg\u00e1nica, Fisicoqu\u00edmica y Qu\u00edmica Org\u00e1nica, Departamento de Ciencias Qu\u00edmicas, Facultad de Estudios Superiores Cuautitl\u00e1n, Universidad Nacional Aut\u00f3noma de M\u00e9xico, Cuatitl\u00e1n Izcalli, 54740, Estado de M\u00e9xico, Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Yolanda Marina","family":"Vargas-Rodriguez","sequence":"additional","affiliation":[{"name":"Secci\u00f3n de Qu\u00edmica Inorg\u00e1nica, Fisicoqu\u00edmica y Qu\u00edmica Org\u00e1nica, Departamento de Ciencias Qu\u00edmicas, Facultad de Estudios Superiores Cuautitl\u00e1n, Universidad Nacional Aut\u00f3noma de M\u00e9xico, Cuatitl\u00e1n Izcalli, 54740, Estado de M\u00e9xico, Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Julian","family":"Cruz-Borbolla","sequence":"additional","affiliation":[{"name":"\u00c1rea Acad\u00e9mica de Qu\u00edmica, Universidad Aut\u00f3noma del Estado de Hidalgo, Unidad Universitaria, Km 4.5 Carretera Pachuca-Tulancingo, Mineral de Reforma, 42184, Hidalgo, Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mar\u00eda Isabel","family":"Medrano","sequence":"additional","affiliation":[{"name":"Instituto de Qu\u00edmica de la Universidad Nacional Aut\u00f3noma de M\u00e9xico, Circuito Exterior, Ciudad Universitaria Coyoac\u00e1n 04510, M\u00e9xico, D.F., Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jos\u00e9 Antonio","family":"Morales-Serna","sequence":"additional","affiliation":[{"name":"Instituto de Qu\u00edmica de la Universidad Nacional Aut\u00f3noma de M\u00e9xico, Circuito Exterior, Ciudad Universitaria Coyoac\u00e1n 04510, M\u00e9xico, D.F., Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2011,2,21]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"59","DOI":"10.1109\/TEI.1986.349043","article-title":"A new impregnant for HV power capacitors","volume":"EJ-21","author":"Berger","year":"1986","journal-title":"IEEE Trans. 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