O, O′-Dimethyl diphenyldithiophosphates of titanium(IV): synthesis, spectroscopic, DFT and biological studies. (2nd July 2020)

• Record Type: Journal Article
• Authors: Kour, Mandeep; Kumar, Sandeep; Andotra, Savit; Lata, Suman; Kaur, Ramanpreet; Singh, Gurpreet; Vikas, ; Katoch, Meenu; Pandey, Sushil K.
• Is Part Of: Molecular physics. Volume 118:Number 13(2020)
• Publication Date: 2020-07-02
• Subjects: Titanium -- diphenyldithiophosphates -- DFT -- TDDFT -- antimicrobial activity; Molecules -- Periodicals; Chemistry, Physical and theoretical -- Periodicals; Molécules -- Périodiques; Chimie physique et théorique -- Périodiques; 539.6.05
• DOI: 10.1080/00268976.2019.1685692
• Languages: English
• ISSNs: 0026-8976

Abstract

Abstract : Dimethyl diphenyldithiophosphate complexes of titanium(IV), [(C5 H5 )2 Ti{S2 P(OAr)2 }n Cl2-n ] (Ar = 2, 4-(CH3 )C6 H3, 2, 5-(CH3 )C6 H3, 3, 4-(CH3 )C6 H3, 3, 5-(CH3 )C6 H3, 3-CH3 -4-Cl-C6 H3 O; 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: