Halogen-involving weak interactions manifested in the crystal structures of silver(i) or gold(i) 4-halogenated-3,5-diphenylpyrazolato trimers

Abstract

Halogen-involving weak interactions manifested in the crystal structures of silver(I) or gold(I) 4-halogenated-3,5-diphenylpyrazolato trimers †

Halogen bonding between metal centers and halocarbons

“…Therefore definitive attribution of these weak interactions to XB was not provided and the other IUPAC criteria should be applied for their identification. Indeed, Chen et al, 20 Wo ¨lper et al, 21 and Laguna et al 22 observed XÁ Á ÁAu I and XÁ Á ÁAg I contacts, which fulfilled only the ''van der Waals criterion'', but in all the three cases the corresponding R-XÁ Á ÁM angles strongly deviate from 1801 (by 30-901, 20 60-701, 21 and 851 22 ) thus contrasting with the second structural IUPAC criterion. Yamamoto et al 23 and Liau et al 24 reported, respectively, the IÁ Á ÁAu I and ClÁ Á ÁAu I contacts, which can be interpreted as XÁ Á ÁAu I halogen bonds, but the nature of these contacts was not verified.…”

Substituent Effects in π‐Hole Regium Bonding Interactions Between Au(p‐X‐Py)2Complexes and Lewis Bases: Anab initioStudy

“…Finally, we have also selected one hit from the general search also involving an aromatic N‐donor ligand. It corresponds to the refcode COFRAS [60] (Figure 2d) that consists of tris(μ 2 ‐4‐Chloro‐3,5‐diphenylpyrazolato)‐tri‐gold complex that co‐crystallizes with a solvent dichloromethane molecule. Quite remarkably, one chlorine atom of dichloromethane is approximately equidistant with respect to the three gold(I) metal centers, establishing three concurrent regium bonding interactions with distances that range 3.569 to 3.959 Å.…”

Linear CuI2Pd0, CuIPd02, and AgI2Pd0 Metal Chains Supported by Rigid N,N′‐Diphosphanyl N‐Heterocyclic Carbene Ligands and Metallophilic Interactions

“…[29] This secondary interaction does not lead to an elongation of the Pd-Cl bond (2.286(1) ), which remains in the expected range. The Pd atom occupiest he centero fs ymmetry and two chloride ligands and two C NHC donors form the square-planar coordination environment around the Pd.…”

“…The Pd II coordination plane (C1, C1',C l1, Cl1')f orms ad ihedrala ngle of 75.248 with the plane of the two imidazole rings as ar esult of the weak interaction between the outer Ag and Cl atoms (2.997 (1) ). [29] This secondary interaction does not lead to an elongation of the Pd-Cl bond (2.286(1) ), which remains in the expected range. [30] The Ag I -Pd II bond length (2.8046(5) ), shorter than the sum of the van der Waals radii (3.35 ) [31] and comparable to that reported, for example, for the Ag I -Pd II bonds (2.7637(1)a nd 2.8014(6) )i n[ Mn 2 Pd 2 Ag(m-Cl)(m-PPh 2 ) 2 (m-dppm)(CO) 8 (5) .S imilarly to the case of [Au 3 (m 3 -PC NHC P) 2 ] 3 + ,t here is an attractive interaction between the central palladium and the terminal silver cations.…”