Experimental and theoretical analysis of n,n’-(ethane-1,2-diylbis(4,1-phenylene))bis(1-(thiophen-2-yl)methanimine) and n,n’-(ethane-1,2-diylbis(4,1-phenylene))bis(1-(4-methylthiophen-2-yl)methanimine) schiff base ligands

• Autores: Guhergul Ulucam, Busra Yenturk
• Localización: Journal of the Chilean Chemical Society (Boletín de la Sociedad Chilena de Química), ISSN-e 0717-6309, ISSN 0366-1644, Vol. 64, Nº. 1, 2019, págs. 4345-4351
• Idioma: inglés
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• Resumen

  • N,N’-(ethane-1,2-diylbis(4,1-phenylene))bis(1-(thiophen-2-yl)methanimine) and N,N’-(ethane-1,2-diylbis(4,1-phenylene))bis(1-(4-methylthiophen-2-yl)methanimine) ligands are formed by diamine and two aromatic aldehyde using Schiff base condensation method. Ligands are characterised by fourier transform infrared spectroscopy (FT-IR), 1H- and13C- nuclear magnetic resonance spectroscopy (1H- and 13C- NMR) and mass spectroscopy (LC ESI/MS) methods. Furthermore, geometric properties such as bond lenghts, bond angles, dihedral angles, electronic properties, highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energies are calculated by using Gaussian 09w program. Experimental and theoretical spectrum datas are compared.