O,O′-Dimethyl diphenyldithiophosphates of titanium(IV): synthesis, spectroscopic, DFT and biological studies

Abstract

Dimethyl diphenyldithiophosphate complexes of titanium(IV), [(C₅H₅)₂Ti{S₂P(OAr)₂}_nCl_2-n] (Ar = 2,4-(CH₃)C₆H₃, 2,5-(CH₃)C₆H₃, 3,4-(CH₃)C₆H_3, 3,5-(CH₃)C₆H_3, 3-CH₃-4-Cl-C₆H₃O; n = 1 and 2) have been synthesised and characterised by various physicochemical techniques along with computational analysis of the complexes (2), (9) and (10) using density functional theory (DFT) and time-dependent DFT (TDDFT). Comparison of antimicrobial activity of the free ligands and complexes has shown that the complexes are more effective than the free ligands. The in vitro cytotoxic by using a MTT staining method with RAW 264.7 cells (mouse macrophages) have been investigated. On the basis of analytical and DFT data, a distorted trigonal bipyramidal around titanium(IV) may be assigned to the complexes (1–5) and distorted octahedral geometries for the complexes (6–10).

GRAPHICAL ABSTRACT

KEYWORDS:

• Titanium
• diphenyldithiophosphates
• DFT
• TDDFT
• antimicrobial activity

Acknowledgements

Authors are gratefully to Sophisticated Analytical Instrumentation Indian Institute of Integrative Medicine, Jammu and Department of Chemistry, University of Jammu, Jammu for providing spectral facilities. We are also thankful to the Division of Pharmacology, IIIM, Jammu, for providing cytotoxic studies.

Disclosure statement

No potential conflict of interest was reported by the authors.