Ultrasonic synthesis of Oct. trans-Br2Cu(N ∩ N)2 Jahn-Teller distortion complex: XRD-properties, solvatochromism, thermal, kinetic and DNA-binding evaluations

Ultrason Sonochem. 2019 Apr:52:428-436. doi: 10.1016/j.ultsonch.2018.12.019. Epub 2018 Dec 12.

Abstract

Under mode of ultrasonic vibration, the neutral octahedral mononuclear [trans-CuBr2(N ∩ N)2]·3H2O complex with N ∩ N = 2,2-dimethylpropane-1,3-diamine was obtained. The structure of the desired complex was characterized by UV-Vis. spectroscopy, FT-IR, EDX, MS, SEM, TG/DTA and CHN-analysis. The octahedral-structure of the desired Cu(II) complex was proven via XRD single-crystal diffraction and its molecular interactions were computed by Hirschfeld surface analysis. Alcohol (as solvent) and short ultrasonic vibration dose period played a critical role in sonochemistry synthesis of octahedral neutral trans-CuBr2(N ∩ N)2 complex instead of trigonal bi-pyramidal monocation [CuBr(N ∩ N)2]Br one. Due to the Jahn-Teller effect, the complex exhibited a trans bonds elongation along Br-Cu-Br axis originating a distorted-octahedral Cu(II), as revealed by the XRD measurements (Br-Cu = 3.04 Å). Therefore, the Solvatochromic behavior of the complex was successfully performed since the trans di-bromide ions are loosely coordinated to Cu(II) center, the change in complex solutions colors by using different solvents which can be detected even by naked-eye supported atypical Jahn-Teller elongation effect formation. TG/DTA and Flynn Wall Ozawa (FWO) isoconversional kinetic methods were applied for the complex to figure out the thermal behavior, kinetic of the ligands de-structured and estimate its Ea/α relation. The complex binding mode to the CT-DNA was examined by UV-vis. spectroscopic, melting curve, CV and viscosity tests. The complex exhibited very strong DNA binding via an intercalation mode of coordination with Kb = 6.5 × 105 value.

Keywords: Cu(II); DNA; FWO isoconversional; Jahn-Teller; Solvatochromism; TGA; XRD.

Publication types

  • Review

MeSH terms

  • Animals
  • Cattle
  • Chemistry Techniques, Synthetic
  • Coordination Complexes / chemistry*
  • Coordination Complexes / metabolism*
  • Copper / chemistry*
  • Crystallography, X-Ray
  • DNA / metabolism*
  • Diamines / chemistry
  • Electrochemistry
  • Kinetics
  • Ligands
  • Models, Molecular
  • Molecular Conformation
  • Solvents / chemistry*
  • Stereoisomerism
  • Ultrasonic Waves*

Substances

  • Coordination Complexes
  • Diamines
  • Ligands
  • Solvents
  • Copper
  • DNA