title: Role of gold in a complex cascade reaction involving two electrocyclization steps.
abstract: Quantum chemical computations (B3LYP/LACVP**) were applied to assess the impact of Au(I) complexation on activation barriers for sequential electrocyclization reactions (one a 1,2-dihydroazete ring-opening and another a pentadienyl cation ring-closure) proposed to occur during a complex reaction cascade that converts alkynes and imines to cyclopentenimines.
authors.affiliation: Department of Chemistry, University of California-Davis, One Shields Avenue, Davis, CA 95616, USA.
authors.forename: Jason G
authors.initials: JG
authors.lastname: Harrison
authors.forename: Dean J
authors.initials: DJ
authors.lastname: Tantillo