N-donor stabilized complexes of nickel(II) diphenyldithiophosphates: single-crystal X-ray, HSA and computational analysis
| Autor: | Deepika Sharma, Sandeep Kumar, Sushil K. Pandey, Pretam Kumar, Amanpreet Kaur Jassal, Suman Lata, Anu Radha, Vikas |
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| Rok vydání: | 2020 |
| Předmět: |
Metals and Alloys
X-ray chemistry.chemical_element 010403 inorganic & nuclear chemistry 01 natural sciences 0104 chemical sciences Catalysis Inorganic Chemistry Crystallography Nickel chemistry.chemical_compound Octahedron chemistry Octahedral molecular geometry Materials Chemistry Density functional theory Single crystal Organometallic chemistry |
| Zdroj: | Transition Metal Chemistry. 45:531-544 |
| ISSN: | 1572-901X 0340-4285 |
| DOI: | 10.1007/s11243-020-00411-x |
| Popis: | Nickel(II) complexes with octahedral coordination stabilized by N-donor ligands corresponds to [{(ArO)2PS2}2Ni·L2] [Ar = 4-(C2H5)C6H4 (3), and 4-C(CH3)3C6H4 (4), (5); L = C5H5N (3), (4) and 4-(C2H5)C5H4N (5)], have been synthesized and characterized by physicochemical and spectroscopic methods. The single-crystal X-ray analysis reveals that NiS4 core is in equatorial plane with two donor ligands in a mutually trans position are coordinated to Ni(II). Theoretical investigations using density functional theory calculations on the complexes were also performed which supports the distorted octahedral geometry around the nickel for the complexes. Hirshfeld surface analysis and 2D fingerprint plot analysis have been employed that display each significant interaction involved. In the complexes (3–5), H···H interactions are major interactions (73%) followed by C···H/H···C, S···H/H···S and O···H/H···O. |
| Databáze: | OpenAIRE |
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