Synthesis, spectroscopic characterization and density functional studies of a bis-benzimidazole derivative and of its complexes with palladium(II) halides
Küçük Resim Yok
Tarih
2014
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Elsevier France-Editions Scientifiques Medicales Elsevier
Erişim Hakkı
info:eu-repo/semantics/openAccess
Özet
The 2,6-bis(benzimidazol-2'-ylthiomethyl)pyridine (L) ligand and its palladium(II) complexes [Pd(L)X]X (X=Cl, Br, and I) have been synthesized and characterized by spectroscopic data acquisition. The ligand (L) was prepared by conventional heating as well as by microwave irradiation. Microwave irradiation shows additional features, including an easy workup, a much faster reaction and higher yields. The molar conductivity data reveal that the complexes form a 1:1 electrolyte in DMSO. The geometries, ground-state energetics and vibrational spectra of (L) and of its complexes have been elucidated, in terms of quantum chemical calculations. In the mononuclear complexes, the palladium atom is coordinated to three nitrogen atoms and one terminal halogen atom in a slightly distorted square planar arrangement. The present elemental analyses, FT-IR (mid, far), H-1 and C-13 NMR spectra are in good accordance with the square planar geometry around the Pd ion. The thermal behaviors of the complexes have been assessed by thermal gravimetric and differential thermal analyses. (C) 2013 Academie des sciences. Published by Elsevier Masson SAS. All rights reserved.
Açıklama
Anahtar Kelimeler
Mononuclear, Molar Conductivity, Thermogravimetry, Microwave Irradiation, DFT Calculations, M-Methylaniline Complexes, Vibrational-Spectra, Antimicrobial Activity, Crystal-Structure, Chelating-Agents, P-Methylaniline, Moller-Plesset, Hartree-Fock, Dna-Binding, Zn(Ii)
Kaynak
Comptes Rendus Chimie
WoS Q Değeri
Q2
Scopus Q Değeri
Q3
Cilt
17
Sayı
9
