Synthesis, structure, spectroscopic studies and ab-initio calculations on first hyperpolarizabilities of NN '-bis(2-hydroxy-1-naphthyl-methylidene)-1-methyl-1,2-diaminoethane-N,N ',O,O '-copper(II)
Küçük Resim Yok
Tarih
2006
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
WALTER DE GRUYTER GMBH
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
N,N'-Bis(2-hydroxy-1-naphthylmethylidene)-1-methyl-1,2-diaminoethane-N,N',O,O'-copper(II) has been synthesized, and characterized by FT-IR and UV/vis spectroscopies. Its crystal structure has been determined by X-ray diffraction analysis. The maximum absorption wavelengths recorded by linear optical experiments are estimated in the UV region to be shorter than 450 nm, showing good optical transparency to the visible light. It may thus possess first hyperpolarizabilities with non-zero values for nonlinear optical (NLO) applications. Ab-initio quantum chemical calculations of the electric dipole moments (mu) and the first static hyperpolarizabilities (0) were carried out. The computational results suggest that the complex may indeed have microscopic NLO behavior with non-zero values.
Açıklama
Anahtar Kelimeler
copper(II) complex, UV-visible spectroscopy, crystal structure, first hyperpolarizability, electric dipole moment
Kaynak
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES
WoS Q Değeri
Q3
Scopus Q Değeri
Cilt
61
Sayı
8
