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Crystal packing, vibrational studies, DFT calculations of a new hybrid nickel (II)‐complex and its application in Heck and Sonogashira cross‐ coupling reactions
Author(s) -
Jaballi Rim,
Maalej Wassim,
Atoui Dhieb,
Feki Habib,
Ben Salem Ridha,
Elaoud Zakaria
Publication year - 2018
Publication title -
applied organometallic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.53
H-Index - 71
eISSN - 1099-0739
pISSN - 0268-2605
DOI - 10.1002/aoc.4366
Subject(s) - chemistry , sonogashira coupling , crystallography , sulfuric acid , crystal structure , catalysis , nickel , raman spectroscopy , hydrogen bond , single crystal , infrared spectroscopy , anhydrous , palladium , inorganic chemistry , molecule , organic chemistry , physics , optics
We particularly investigate a new material [Ni(C 12 H 12 N 2 )(H 2 O) 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 2‐ counter‐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.