title: Halogen bonding of (iodoethynyl)benzene derivatives in solution.
abstract: Halogen bonding (XB) between (iodoethynyl)benzene donors and quinuclidine in benzene affords binding free enthalpies (ΔG, 298 K) between -1.1 and -2.4 kcal mol(-1), with a strong LFER with the Hammett parameter σpara. The enthalpic driving force is compensated by an unfavorable entropic term. The binding affinity of XB acceptors increases in the order pyridine < C═O < S═O < P═O < quinuclidine. Diverse XB packing motifs are observed in the solid state.
authors.affiliation: Laboratorium für Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.
authors.forename: Oliver
authors.initials: O
authors.lastname: Dumele
authors.forename: Dino
authors.initials: D
authors.lastname: Wu
authors.forename: Nils
authors.initials: N
authors.lastname: Trapp
authors.forename: Nancy
authors.initials: N
authors.lastname: Goroff
authors.forename: François
authors.initials: F
authors.lastname: Diederich