Synthesis, characterization of Ru(III) macrocyclic complex with hirshfeld analysis and drug likeness study. (2022)

• Record Type: Journal Article
• Authors: Kanaoujiya, Rahul; Kumar Sahu, Dharmendra; Shankar, Vijay; Garima, ; Srivastava, Shekhar
• Is Part Of: Materials today. Volume 62:Part 6(2022)
• Page Start: 3497
• Page End: 3501
• Publication Date: 2022
• Subjects: Ruthenium(III) -- Macrocyclic ligand -- Hirshfeld analysis -- Drugs likeness; Materials science -- Congresses -- Periodicals; 620.1
• DOI: 10.1016/j.matpr.2022.04.303
• Languages: English
• ISSNs: 2214-7853

Abstract

Abstract: In this study noble macrocyclic ligand complexes of Ru(III) have been synthesized with macrocyclic ligand such as 1, 4, 8, 11-tetraazacyclotetradecane and evaluated for the characterization. cyclam macrocyclic ligands was used and its complexation properties with Ru(III) were investigated by elemental characterisation, molar conductivity, FT-IR and X-ray photoelectron spectroscopy i.e. XPS. Spectroscopic studies revealed the octahedral geometry of complex. Determining 3D and 2D surface analysis of the ligand was used for the hirshfeld analysis. Hirshfeld surface analysis used for the determining of 3D intermolecular interaction of the surface of the crystal and while Determining 2D intermolecular interactions was used for the fingerprint plot, cyclam was tenacious by Preparation of H-H/H-N/N-H. All compound and their derivatives were come across have close complexation on the basis of Drug likeness investigation. On the basis of Drug likeness result cyclam ligand could be make use in the enlargement of various type of drugs.