title: Au-Au chemical bonding induced by UV irradiation of dinuclear gold(I) complexes: a computational study with experimental evidence.
abstract: Two luminescent dinuclear gold(I) species, namely diselenophosphinate [Au2{μ-Se2P((CH2)2Ph)2}2] and dithiophosphinate [Au2{μ-S2P((CH2)2Ph)2}2], exhibiting interesting structural, absorption and emission properties have been studied. In the solid state, both complexes exist in a dinuclear monomeric form, exhibiting no aurophilic interaction, and display similar photophysical properties. It is shown, using DFT computations, that Au-Au chemical bonding appears in the first excited state of these complexes, whereas such bonding does not exist in their ground state; Raman spectroscopy experiments, which bring to light the stretching of this new bond, confirm the theoretical results. Moreover, TDDFT computations permitted us to assign the observed absorption bands of the UV-visible spectra of the two species to LMCT transitions and to describe the emission.
authors.affiliation: Institut des Sciences Chimiques de Rennes, UMR 6226 CNRS-Université de Rennes 1, Campus de Beaulieu, 35042 Rennes cedex, France. abdou.boucekkine@univ-rennes1.fr.
authors.forename: Camille
authors.initials: C
authors.lastname: Latouche
authors.forename: Yan-Ru
authors.initials: YR
authors.lastname: Lin
authors.forename: Yeny
authors.initials: Y
authors.lastname: Tobon
authors.forename: Eric
authors.initials: E
authors.lastname: Furet
authors.forename: Jean-Yves
authors.initials: JY
authors.lastname: Saillard
authors.forename: Chen-Wei
authors.initials: CW
authors.lastname: Liu
authors.forename: Abdou
authors.initials: A
authors.lastname: Boucekkine
mesh_terms: D006046:Gold / Q000737:chemistry*; D050607:Organogold Compounds / Q000737:chemistry*; D011789:Quantum Theory; D014466:Ultraviolet Rays
chemical_list: D050607:Organogold Compounds; D006046:Gold