Third-order nonlinear optical properties of copper(II)bis{2-[(4-iodophenyl) iminomethyl]-6-methoxy-phenolate}
Küçük Resim Yok
Tarih
2006
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Verlag der Zeitschrift fur Naturforschung
Erişim Hakkı
info:eu-repo/semantics/openAccess
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 hyperpolarizabilities have been evaluated by using the ab initio time-dependent Hartree-Fock (TDHF) method. According to the results, the title complex exhibits non-zero y values, implying microscopic third-order NLO behavior. © 2006 Verlag der Zeitschrift für Naturforschung.
Açıklama
Anahtar Kelimeler
Ab initio calculation, Copper(II) complex, Static third-order hyperpolarizability, Time-dependent hartree-fock, UV-visible spectroscopy
Kaynak
Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences
WoS Q Değeri
Scopus Q Değeri
Q3
Cilt
61
Sayı
11
