scholarly journals Synthesis and physico-chemical studies of a novel noncentrosymmetric heptacoordinated cadmium(II) compound containing a tripodal amine, CdCl2[N(C2H6N)3]2

2014 ◽  
Vol 10 (10) ◽  
pp. 3225-3235
Author(s):  
M. Ben Nasr ◽  
K. Kaabi ◽  
P. S. Pereira Silva ◽  
F. Lefebvre ◽  
C. Ben Nasr
Keyword(s):  
Dft Calculations ◽  
Solid State Nmr ◽  
X Ray Diffraction ◽  
Absorption Bands ◽  
X Ray ◽  
Counter Ions ◽  
Physico Chemical ◽  
Chemical Studies ◽  
Cp Mas Nmr ◽  
13C Cp Mas Nmr

A new noncentrosymmetric Cd(II) complex with thetripodal amine tris(2-aminoethyl)amine, CdCl2[N(C2H6N)3]2, has been prepared and characterized by single crystal X-ray diffraction, solid state NMR and IR spectroscopies. In the complex, the Cd(II) ion is surrounded by sevennitrogen atoms. The organic molecule acts as both a tri-and a tetradentate ligand. The cationic complexes are linked to each other forming layers parallel to the (a, b)plan. The Cl- counter ions occupy the cavities created inside these layers. The 13C CP-MAS NMR spectra are in agreement with the X-ray structure. DFT calculations allow the attribution of the carbon peaks to the differentatoms.The vibrational absorption bands were identified by infrared spectroscopy and DFT calculations allowed their attributions.

scholarly journals Synthesis, structure and characterization of a new cadmium(II) iodide containing a tetradentate tripodal amine

2014 ◽  
Vol 10 (5) ◽  
pp. 2728-2736 ◽  
Author(s):  
Kamel Kaabi ◽  
Valeria Ferretti ◽  
Frederic Lefebvre ◽  
Cherif Ben Nasr
Keyword(s):  
Infrared Spectroscopy ◽  
Dft Calculations ◽  
Absorption Bands ◽  
Nmr Spectrum ◽  
X Ray ◽  
Trigonal Bipyramidal ◽  
Cp Mas Nmr ◽  
13C Cp Mas Nmr ◽  
Distorted Trigonal Bipyramidal

A cadmium(II) iodide compound of the [Cd(L)I]I series, with L = tris(2-aminoethyl)amine, is synthesized and characterized. X-ray structural study shows that the title compound has a slightly distorted trigonal bipyramidal environment where the CdN4I chromophore is bounded by N atoms of L and one iodide. In the structural arrangement, the [Cd(L)I]+ cationic complexes are interconnected via N-H···I hydrogen bonds generated by the uncoordinated I iodide anions to form layers parallel to the (a, c) plane. The 13C CP-MAS NMR spectrum is discussed and the vibrational absorption bands were identified by infrared spectroscopy and DFT calculations.

Structural refinement of the RT LaOF phases by coupling powder X-Ray diffraction, 19F and 139La solid state NMR and DFT calculations of the NMR parameters

2015 ◽  
Vol 44 (47) ◽  
pp. 20675-20684 ◽  
Author(s):  
Jamal Dabachi ◽  
Monique Body ◽  
Jens Dittmer ◽  
Franck Fayon ◽  
Christophe Legein
Keyword(s):  
Solid State ◽  
Dft Calculations ◽  
Solid State Nmr ◽  
Structural Refinement ◽  
X Ray Diffraction ◽  
X Ray ◽  
Nmr Parameters

The structures of the RT LaOF phases have been refined by coupling XRPD, multinuclear solid state NMR and DFT calculations.

Complexation of lead(II) with O,O′-dialkyldithiophosphate ligands: 31P and 13C CP/MAS NMR and single-crystal X-ray diffraction studies

2004 ◽  
Vol 357 (9) ◽  
pp. 2510-2518 ◽  
Author(s):  
Anna-Carin Larsson ◽  
Alexander V Ivanov ◽  
Oleg N Antzutkin ◽  
Andrey V Gerasimenko ◽  
Willis Forsling
Keyword(s):  
Single Crystal ◽  
Mas Nmr ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cp Mas Nmr ◽  
13C Cp Mas Nmr

scholarly journals Synthesis, structure and characterization of a new noncentrosymmetric Zn(II) complex with the 2-amino-5-chloropyridine ligand (AClPy)

2014 ◽  
Vol 10 (9) ◽  
pp. 3116-3126 ◽  
Author(s):  
Wijdene Nbili ◽  
Kamel Kaabi ◽  
Valeria Ferretti ◽  
Frederic Lefebvre ◽  
Cherif Ben Nasr
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Theoretical Calculations ◽  
Mas Nmr ◽  
Coordination Pattern ◽  
X Ray Diffraction ◽  
Absorption Bands ◽  
Cp Mas Nmr ◽  
13C Cp Mas Nmr

A new noncentrosymmetric Zn(II) complex with the monodentate ligand 2-amino-5-chloropyridine (AClPy), ZnCl2(C5H5ClN2)2, has been prepared at room temperature and characterized by single crystal X-ray diffraction, 13C CP-MAS-NMR and IR spectroscopies. The basic coordination pattern of the AClPy coordinated metal cations is slighly distorted tetrahedral. The crystal structure is characterized by ZnCl2N2 tetrahedra interconnected via N-H···Cl hydrogen bonds generated by the NH2 amino group to form chains extending along the (a-c) direction. The exocyclic N atom is an electron receiving center, which is consistent with features of imino resonance as evidenced by bond lengths and angles. The crystal structure is stabilized by sets of intra and intermolecular hydrogen bonds. The 13C CP-MAS NMR spectrum is discussed and the vibrational absorption bands are identified by infrared spectroscopy and theoretical calculations.

Ring inversion in 4-hydroxy-1-methylpiperidine betaine studied by X-ray, FTIR, 13C CP MAS NMR and DFT calculations

2009 ◽  
Vol 917 (2-3) ◽  
pp. 76-83 ◽  
Author(s):  
Z. Dega-Szafran ◽  
G. Dutkiewicz ◽  
Z. Fojud ◽  
Z. Kosturkiewicz ◽  
M. Szafran
Keyword(s):  
Dft Calculations ◽  
Mas Nmr ◽  
Ring Inversion ◽  
X Ray ◽  
Cp Mas Nmr ◽  
13C Cp Mas Nmr
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