title: The different roles of a cationic gold(i) complex in catalysing hydroarylation of alkynes and alkenes with a heterocycle.
abstract: The mechanism of twofold hydroarylation of terminal alkynes with pyrrole catalyzed by a cationic gold(i) complex was investigated using DFT. It was found that while both the hydroarylation reactions proceed via a Friedel-Crafts-type mechanism, the first hydroarylation is directly promoted by gold(i) but the second hydroarylation by a proton released through interaction of the alkene product with gold-bound acidic organic species such as acetic acid and terminal alkynes.
authors.affiliation: Department of Chemistry, Faculty of Science, Central Tehran Branch, Islamic Azad University, Shahrak Gharb, Tehran, Iran.
authors.forename: Tahmineh
authors.initials: T
authors.lastname: Mehrabi
authors.forename: Alireza
authors.initials: A
authors.lastname: Ariafard