Unbridged Au(ii)–Au(ii) bonds are theoretically allowed

Abstract

The bonding in the unbridged closed-shell Au(II)-Au(II) dimers X(4)Au(2)(C(5)H(5)N)(2), X = H, F-I and CF(3), is analyzed and the short Au-Au bonds around 250 pm are reproduced by a novel 6s6p(z)5d(xy) hybridization.

Photoinduced Gold(I)–Gold(I) Chemical Bonding in Dicyanoaurate Oligomers

“…They also enhance significantly the strong noncovalent Au–Au interaction termed “aurophilicity”,6 which plays an important role in the self‐assembly of Au complexes in the ground state, and may also contribute to Au–Au chemical bonding in excited states 7–11. Au I complexes show great potential in optoelectronic materials such as light‐emitting diodes (LEDs), and hence the past decade has also witnessed a growing interest in excited‐state properties of polynuclear Au complexes 12–23…”

Photoinduced Gold(I)–Gold(I) Chemical Bonding in Dicyanoaurate Oligomers

“…[1,2] A characteristic feature of Au is the strong relativistic effects, [3,4] that is, a dominating direct and a weaker indirect stabilization and contraction of the 6s shell, as well as an indirect destabilization and expansion of the 5d shell. [12][13][14][15][16][17][18][19][20][21][22][23] The prototypical dicyanoaurate [Au(CN) 2 À ] has remarkable spectroscopic and excited-state properties in solution. Therefore, relativistic effects have a strong impact on Au chemistry.…”

Gold trifluoromethyl complexes

“…117 The other compound is [Au 2 (CF 3 ) 4 ( py) 2 ], obtained after irradiating a solution of [Ag( py) 2 ][Au(CF 3 ) 2 ] with UV light. 119 The computational results showed that the bond between both the Au(II) centers is of covalent nature. 118 This compound is a rare example of a dinuclear Au(II) complex where the Au-Au bond is not supported by the bridging ligands, and it has been the object of a theoretical study.…”