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2 results on '"Asymmetrical diamine"'

1. Synthesis, solvatochromism and crystal structure of trans-[Cu(Et2NCH2CH2NH2)2.H2O](NO3)2 complex: Experimental with DFT combination.

Author

Warad, Ismail, Musameh, Sharif, Badran, Ismail, Nassar, Nashaat N., Brandao, Paula, Tavares, Carlos Jose, and Barakat, Assem

Subjects
*COMPLEX compounds synthesis, *METAL complexes, *CRYSTAL structure, *COPPER compounds, *X-ray diffraction
Abstract

In this study, two dicationic asymmetrical diamine/copper(II) nitrate salt complexes of the general formula trans -[Cu II (NN′) 2 .H 2 O](NO 3 ) 2 were successfully synthesized using N , N -dimethylethylenediamine and N , N -diethylethylenediamine as asymmetrical diamine ligands. The structure of complex 2 was identified by X-ray single crystal diffraction analysis confirming that the bidentate ligand N , N -dimethylethylenediamine forms a penta-coordinated complex with an H 2 O molecule located around the copper(II) ion in a trans configuration. It was found that the metal centre is coordinated in a distorted square pyramidal fashion with a τ value of 0.274. The desired complexes were fully characterized using, MS, UV–Vis, CV, FTIR, TG/DTA, and Hirshfeld surface computational analysis. High level theoretical calculations were also performed in order to investigate the complexes structure, conformers, vibrational frequencies, and their excited states. [ABSTRACT FROM AUTHOR]

Published
2017
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2. Synthesis, solvatochromism and crystal structure of trans-[Cu(Et2NCH2CH2NH2)(2)center dot H2O](NO3)(2) complex: Experimental with DFT combination

Author

Ismail Badran, Sharif Musameh, Ismail Warad, Carlos J. Tavares, Nashaat N. Nassar, Paula Brandão, Assem Barakat, and Universidade do Minho

Subjects
Ciências Naturais::Ciências Físicas, Stereochemistry, XRD, Ciências Físicas [Ciências Naturais], chemistry.chemical_element, Theoretical calculations, Crystal structure, 010402 general chemistry, 01 natural sciences, Analytical Chemistry, Inorganic Chemistry, Metal, chemistry.chemical_compound, Diamine, Molecule, Conformational isomerism, Cu(II) complexes, Spectroscopy, Science & Technology, 010405 organic chemistry, Organic Chemistry, Solvatochromism, Asymmetrical diamine, Copper, Square pyramidal molecular geometry, 3. Good health, 0104 chemical sciences, Crystallography, chemistry, visual_art, visual_art.visual_art_medium
Abstract

In this study, two dicationic asymmetrical diamine/copper(II) nitrate salt complexes of the general formula trans-[CuII(NN')(2)center dot H2O](NO3)(2) were successfully synthesized using N,N-dimethylethylenediamine and N,N-diethylethylenediamine as asymmetrical diamine ligands. The structure of complex 2 was identified by X-ray single crystal diffraction analysis confirming that the bidentate ligand N,N-dimethylethylenediamine forms a penta-coordinated complex with an H2O molecule located around the copper(II) ion in a trans configuration. It was found that the metal centre is coordinated in a distorted square pyramidal fashion with a tau value of 0.274. The desired complexes were fully characterized using, MS, UV-Vis, CV, FTIR, TG/DTA, and Hirshfeld surface computational analysis. High level theoretical calculations were also performed in order to investigate the complexes structure, conformers, vibrational frequencies, and their excited states., The authors would like to extend their sincere appreciation to the Deanship of Scientific Research at King Saud University for funding this Research group NO (RG -257-1436-1437). The authors are also grateful to the Western Canada Research Grid., info:eu-repo/semantics/publishedVersion

Published
2017

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