title: Disentanglement of donation and back-donation effects on experimental observables: a case study of gold-ethyne complexes.
abstract: A charge-displacement analysis of gold-ethyne complexes shows the existence of a quantitative relationship between measurable properties and the chemical bond constituents in the Dewar-Chatt-Duncanson model. Through suitable experiments, these constituents may be disentangled and crucial insight into the nature of coordination bonds may thus be gained.
authors.affiliation: Istituto di Scienze e Tecnologie Molecolari del CNR (CNR-ISTM), Via Elce di Sotto 8, 06123 Perugia (Italy); Dipartimento di Chimica, Biologia e Biotecnologie, Università di Perugia (Italy).
authors.forename: Giovanni
authors.initials: G
authors.lastname: Bistoni
authors.forename: Leonardo
authors.initials: L
authors.lastname: Belpassi
authors.forename: Francesco
authors.initials: F
authors.lastname: Tarantelli
keywords: alkyne ligands; bond theory; density functional calculations; gold; multiple bonds