Third-order nonlinear optical properties of copper(II)bis{2-[(4-iodophenyl)iminomethyl]-6-methoxy-phenolate}
Küçük Resim Yok
Tarih
2006
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
VERLAG Z NATURFORSCH
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
Copper(II)bis {2-[(4-iodophenyl)iminomethyl]-6-methoxy-phenolate} has been synthesized, characterized by UV-visible spectroscopy, and its crystal structure determined by X-ray diffraction. The Cu atom is situated on a twofold axis and the geometry around the metal centre can be described as distorted square planar with a trans configuration. The absorption maxima are shorter than 450 nm, giving rise to good optical transparency in the visible and near IR. To reveal the microscopic third-order NLO properties, the static second hypetpolarizabilities have been evaluated by using the ab initio time-dependent Hartree-Fock (TDHF) method. According to the results, the title complex exhibits non-zero gamma values, implying microscopic third-order NLO behavior.
Açıklama
Anahtar Kelimeler
copper(II) complex, time-dependent Hartree-Fock, static third-order hyperpolarizability, UV-visible spectroscopy, ab initio calculation
Kaynak
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES
WoS Q Değeri
Q3
Scopus Q Değeri
Cilt
61
Sayı
11
