Show simple item record

dc.contributor.authorMasoudiasl, A.
dc.contributor.authorMontazerozohori, M.
dc.contributor.authorJoohari, S.
dc.contributor.authorTaghizadeh, L.
dc.contributor.authorMahmoudi, G.
dc.contributor.authorAssoud, A. 20:47:50 (GMT) 20:47:50 (GMT)
dc.descriptionThe final publication is available at Elsevier via © 2019. This manuscript version is made available under the CC-BY-NC-ND 4.0 license
dc.description.abstractA new nanostructured cadmium complex containing a tridentate Schiff base ligand was sonochemically synthesized and characterized by XRPD, FT/IR, NMR, and single crystal X-ray crystallography. Structural data showed that cadmium(II) ion is surrounded by three nitrogen atoms of Schiff base ligand and two iodide anions. The crystal packing was contained the intermolecular interactions such as CH⋯O, CH⋯I and π⋯π interactions organizing the self-assembly process. Hirshfeld surfaces and corresponding fingerprint plots have been used for investigation of the nature and proportion of interactions in the crystal packing. FT/IR, NMR and XRD data were in agreement with the X-ray structure and confirm the phase purity of the prepared sample. The molecular structure of the complex was optimized by density functional theory (DFT) calculation at the B3LYP/LANL2DZ level of theory and the results were compared with experimental ones. For more concise study of structure and spectral aspects of the complex, natural bond orbital (NBO) analysis and time-dependent density functional theory (TD-DFT) have been also performed. Thermal stability of the cadmium iodide complex was investigated by thermogravimetric analysis (TGA). Finally, cadmium oxide nanoparticles was prepared by direct calcination of CdLI2 complex as a new precursor.en
dc.description.sponsorshipPartial support of this work by Yasouj University is appreciated.en
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 International*
dc.subjectcrystal structureen
dc.titleStructural investigation of a new cadmium coordination compound prepared by sonochemical process: Crystal structure, Hirshfeld surface, thermal, TD-DFT and NBO analysesen
dcterms.bibliographicCitationA. Masoudiasl, M. Montazerozohori, S. Joohari, L. Taghizadeh, G. Mahmoudi, A. Assoud, Structural investigation of a new cadmium coordination compound prepared by sonochemical process: crystal structure, Hirshfeld surface, thermal, TD-DFT and NBO analyses, Ultrasonics Sonochemistry (2018), doi:
uws.contributor.affiliation1Faculty of Scienceen

Files in this item


This item appears in the following Collection(s)

Show simple item record

Attribution-NonCommercial-NoDerivatives 4.0 International
Except where otherwise noted, this item's license is described as Attribution-NonCommercial-NoDerivatives 4.0 International


University of Waterloo Library
200 University Avenue West
Waterloo, Ontario, Canada N2L 3G1
519 888 4883

All items in UWSpace are protected by copyright, with all rights reserved.

DSpace software

Service outages