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A sulfonic acid (p\u2010toluenesulfonic acid\u2014APTS), an amidine base (1,8\u2010diazabicyclo [5.4.0] undec\u20107\u2010ene\u2014DBU) and a guanidine base (1,5,7\u2010triazabicyclo[4.4.0]dec\u20105\u2010ene\u2014TBD) successfully catalyze the polymerization. The reaction mechanisms are studied by density functional theory. A bifunctional activation is observed in the presence of the sulfonic acid, the carbonyl moiety being activated via the acidic proton of APTS and the alcohol via the basic oxygen. Regarding DBU, a mechanism based on a basic activation of the alcohol rather than a nucleophilic attack of the catalyst is evidenced. The difference observed between TBD and DBU is attributed to a better H\u2010bonding ability of the former versus the latter.<\/jats:p>","DOI":"10.1002\/mame.201900298","type":"journal-article","created":{"date-parts":[[2019,6,25]],"date-time":"2019-06-25T21:15:44Z","timestamp":1561497344000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":15,"title":["Organocatalysts for the Synthesis of Poly(ethylene terephthalate\u2010<i>co<\/i>\u2010isosorbide terephthalate): A Combined Experimental and DFT Study"],"prefix":"10.1002","volume":"304","author":[{"given":"Nicholas","family":"Stanley","sequence":"first","affiliation":[{"name":"Universit\u00e9 de Lille CNRS Centrale Lille ENSCL Universit\u00e9 d\u2019 Artois  UMR 8181 \u2013 UCCS \u2013 Unit\u00e9 de Catalyse et Chimie du Solide F\u201059000 Lille France"}]},{"given":"Thomas","family":"Chenal","sequence":"additional","affiliation":[{"name":"Universit\u00e9 de Lille CNRS Centrale Lille ENSCL Universit\u00e9 d\u2019 Artois  UMR 8181 \u2013 UCCS \u2013 Unit\u00e9 de Catalyse et Chimie du Solide F\u201059000 Lille France"}]},{"given":"Nicolas","family":"Jacquel","sequence":"additional","affiliation":[{"name":"Roquette Fr\u00e8res  F\u201062080 Lestrem Cedex France"}]},{"given":"Ren\u00e9","family":"Saint\u2010Loup","sequence":"additional","affiliation":[{"name":"Roquette Fr\u00e8res  F\u201062080 Lestrem Cedex France"}]},{"given":"Joao Paulo","family":"Prates Ramalho","sequence":"additional","affiliation":[{"name":"Chemistry Department CQE \u2013 \u00c9vora Chemistry Centre and Hercules Centre Sciences and Technology School University of \u00c9vora  Rua Rom\u00e3o Ramalho 59 7000\u2010671 \u00c9vora Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2329-9116","authenticated-orcid":false,"given":"Philippe","family":"Zinck","sequence":"additional","affiliation":[{"name":"Universit\u00e9 de Lille CNRS Centrale Lille ENSCL Universit\u00e9 d\u2019 Artois  UMR 8181 \u2013 UCCS \u2013 Unit\u00e9 de Catalyse et Chimie du Solide F\u201059000 Lille France"}]}],"member":"311","published-online":{"date-parts":[[2019,6,25]]},"reference":[{"key":"e_1_2_7_1_1","doi-asserted-by":"publisher","DOI":"10.1021\/bm060713v"},{"key":"e_1_2_7_2_1","unstructured":"L.Sipos G. 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