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
Küçük Resim Yok
Tarih
2019
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Soc Chilena Quimica
Erişim Hakkı
info:eu-repo/semantics/openAccess
Özet
N,N'-(ethane- 1,2-diyIbis(4,1-phenylene))bis(1-(thiophen-2-yl)methan i mine) and N,N'-(ethane-1,2-diyIbis(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), H-1- and C-13- nuclear magnetic resonance spectroscopy (H-1- and C-13- NMR) and mass spectroscopy (LC ESVMS) 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.
Açıklama
Anahtar Kelimeler
Thiophene, Schiff Base, Gaussian 09w, DFT/B3LYP, Nonlinear-Optical Properties, Ab-Initio, Biological-Activity, Crystal-Structure, Ft-Raman, Complexes
Kaynak
Journal Of The Chilean Chemical Society
WoS Q Değeri
Q4
Scopus Q Değeri
Q3
Cilt
64
Sayı
1
