Crystal packing, vibrational studies, DFT calculations of a new hybrid nickel (II)‐complex and its application in Heck and Sonogashira cross‐ coupling reactions

Abstract

4 ]SO 4 that it was hydrothermally synthesized by reaction of 5,5'-dimethyl-2,2'-bipyridne, denoted (dmbpy), metal salt and sulfuric acid. The large crystals are characterized by X-ray single crystal diffraction, infrared, Raman spectroscopy and DFT calculation. The thermogravimetric analysis indicated that the dehydration occurs in two steps, leading to an anhydrous compound. At room temperature, the complex crystallises in the centrosymmetric space group P2 1 /c with the following parameters a = 9.492 (7) Å, b = 9.539 (7) Å, c = 18.411 (1) Å, β =102.616 (1)°, V = 1626.8 (2) Å 3 and Z = 4. The asymmetric unit contains one free SO 4 2counter-ion and [Ni(dmbpy)(H 2 O) 4 ] 2+ complex cation. The crystal structure of the complex is built up from infinite parallel two-dimensional planes, containing all the components of the structure and perpendicular to the axis b. The aqua ligands are connected to the sulfate anion via O-H…O hydrogen bonds that stabilize the three-dimensional network.The catalytic activity of the complex was examined in the coupling reactions of Heck and Sonogashira in the presence of different bases in various organic solvents under ultrasonic irradiation. The obtained results show that this type of complex can be considered as an effective catalyst for these coupling reactions. The ultrasonic activation results the encouraging yields for a short period of time: 30-45 min.

A new square pyramidal copper(II) complex [Cu(C10H24N4)Br]Br: Crystal structure, thermal analysis, Hirschfeld surfaces, electrical and semiconducting properties

“…Nowadays, transition metal complexes are attracting wide attention not only because of their intriguing variety of architectures and molecular topologies [1][2][3][4][5], but also but also these new materials are also sought for improved optical, and electrical properties, magnetic, medicinal, luminescence and ionic conductivity, as well as chemical or biochemical activity [6][7][8][9][10][11][12][13][14][15][16][17]. A good example among these promising complexes is when Cu(II) is the central metal, since copper complexes have been reported to show versatile properties and applications [18][19][20][21].…”

Pd supported on locust bean gum as reusable green catalyst for Heck and Sonogashira coupling reactions and 4‐nitroaniline reduction under ultrasound irradiation

“…However, at an amplitude value of 40%, the obtained yield decreased, which seems to correspond to the threshold of the physical limit of the ultrasonic activation. [46,47] The effect of ultrasound increased with the amplitude used until a maximum value, which is the cavitation threshold. From this level, the cavitation is very intense.…”

Supramolecular architectures of mononuclear nickel(II) and homobinuclear copper(II) complexes with the 5,5′-dimethyl-2,2′-bipyridine ligand: Syntheses, crystal structures and Hirshfeld surface analyses

“…[16][17][18][19][20][21][22][23] Moreover, a large number of studies showed that postsynthetic functionalization or direct syntheses with ligands having suitable functionality can impart hydrogen bond capabilities to the organic-inorganic hybrid. 24,25 Besides, one of the most widely studied functional groups that have been used to impart hydrogen bonding capabilities to the hybrid is the amino, carbonyl, anhydride, cyano group, etc., [26][27][28][29][30] Even more recently, the self-assembly processes are sensitive to diverse synthetic conditions in some cases, change of reaction conditions such as the solvent, pH and temperature for a given set of organic ligands and metal ions can cause various supramolecular architectures. 31,32 In this regard, solvent molecules or counter-ions (CH3COO -, NO3, NO2, ClO4 -, etc) may also dramatically influence the overall solid-state architecture Please do not adjust margins Please do not adjust margins by participating in metal coordination and hydrogen bonding.…”