Studies of structural diversity due to inter-/intra-molecular hydrogen bonding and photoluminescent properties in thiocarboxylate Cu(i) and Ag(i) complexes

Abstract

Cu(I) and Ag(I) thiocarboxylate complexes containing 2-mercaptobenzimidazole and 2-mercapto-2-thiazoline were synthesized. Direction of H-bonding depends on the R-group of thiocarboxylate ligands. AIM and NBO (DFT) calculations revealed the nature of M-M interactions in complex 7.

Studies on Chemical Reactivity and Electrocatalysis of Two Acylmethyl(hydroxymethyl)pyridine Ligand-Containing [Fe]-Hydrogenase Models (2-COCH2-6-HOCH2C5H3N)Fe(CO)2L (L = η1-SCOMe, η1-2-SC5H4N)

“…Acetyl chloride, p -MeC 6 H 4 COCl, HBF 4 ·Et 2 O (50–55% in Et 2 O), PPh 3 , P­(OMe) 3 , PMe 3 (1 M in THF), and some other materials are available commercially and used without further purification. Iodide complex (2-COCH 2 -6-HOCH 2 C 5 H 3 N)­Fe­(CO)­I, NaSCOMe, and 2-NaSC 5 H 4 N were prepared according to the published methods. 2,6-( p -MeC 6 H 4 ) 2 ­C 6 H 3 SK was prepared by reaction of 2,6-( p -MeC 6 H 4 ) 2 ­C 6 H 3 SH with 1 equiv of t -BuOK in THF at room temperature.…”

Synthesis of a Series of a Few Hydrosulfide Complexes of Cu(I). A μ3-SH-Bridged Rare Cubane-like Tetramer Showing Efficient Catalytic Activity toward Azide–Alkyne Cycloaddition

“…Notably, the shortest Cu•••Cu distance (among 1, 3, and 4) was observed in 3 (2.903 Å); however, this is also quite long to have any Cu−Cu bonding. 45 The Cu−S distances in 4 [ranging from 2.394(5) to 2.414( 5) Å] are comparable to those in complex 1. The S atoms are pyramidal because of the presence of stereochemically active lone pairs.…”

“…A notable difference found between 4 and the above-mentioned thiolate complex is the Cu···Cu distance, which is fairly shorter in the former (by about 0.33 Å). Notably, the shortest Cu···Cu distance (among 1 , 3 , and 4 ) was observed in 3 (2.903 Å); however, this is also quite long to have any Cu–Cu bonding …”

Structural and photophysical characterization of mono- and binuclear Cu(i) complexes based on carbohydrazones: a combined experimental and computational study

“…Cu⋯Cu distances are over 2.9 Å (Table 1), implying the negligible contribution of the Cu⋯Cu interaction in the photophysical properties of these complexes. 10 The Cu⋯Cu and X⋯X distances are not only affected by the Cu-X bond length and X-Cu-X angle (ionic radius of the halide atom), 11 but are also the result of intermolecular interaction with X (see Crystal packing discussion).…”