Study on the second order optical properties of N-(2,4-dichloro)-salicylaldimine
Yükleniyor...
Tarih
2005
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
VERLAG Z NATURFORSCH
Erişim Hakkı
info:eu-repo/semantics/openAccess
Özet
N-(2,4-Dichloro)-salicylaldimine was synthesized, characterized by elemental analysis, FT-IR, and UV-visible spectroscopy, and its crystal structure was determined. The title compound is almost planar and contains short intramolecular O-H center dot center dot center dot N hydrogen bonds [O1-N1 2.601(1) A]. It remains transparent in the visible region and has solvatochromic behavior in the UV region in the range 198 349 nm, implying non-zero microscopic first hyperpolarizability. The ab-initio quantum mechanical calculations (finite field second-order Moller Plesset perturbation theory) of the studied compound have been carried out to compute the electric dipole moment (mu) and the first hyperpolarizability (beta) values. The ab-initio results also show that this ligand might have microscopic nonlinear optical behavior with non-zero values.
Açıklama
Anahtar Kelimeler
nonlinear optics, first hyperpolarizability, UV-visible spectroscopy, crystal structure, ab-initio calculation
Kaynak
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES
WoS Q DeÄŸeri
Q3
Scopus Q DeÄŸeri
Cilt
60
Sayı
5
