A density functional theory study of [(4-aminophenyl)imino]methyl-6-methoxy-4-nitrophenol complexes with Co, Ni, Cu and Zn metals
Küçük Resim Yok
Tarih
2014
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Scientific Publ-India
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
The optimization and IR spectra of the [(4-aminophenyl)imino]methyl-6-methoxy-4-nitrophenol and its complexes with Co, Ni, Cu and Zn metals were determined by means of density functional theory (DFT) calculations using B3LYP formalism. The optimized geometries of complexes have tetrahedral structures. The C=N, C-O and N-H stretching frequency values were calculated to be in good agreement with experimental frequency data for ligand and its complexes with metals. All calculated frequencies are within 1.1% of the regions of experimental frequencies.
Açıklama
Anahtar Kelimeler
DFT, Schiff base, transition metal complex
Kaynak
Journal Of The Indian Chemical Society
WoS Q Değeri
Q4
Scopus Q Değeri
Q4
Cilt
91
Sayı
7
