Study On The Second Order Optical Properties Of N-(2,4-Dichloro)-Salicylaldimine

Study On The Second Order Optical Properties Of N-(2,4-Dichloro)-Salicylaldimine

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. . .N hydrogen bonds [O1-N1 2.601(1) A° ]. It remains transpa...

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Veröffentlicht in:Zeitschrift für Naturforschung. A, A journal of physical sciences A journal of physical sciences, 2005-05, Vol.60 (5), p.376-382
Hauptverfasser: Karakaş, Aslı, Ünver, Hüseyin, Elmali, Ayhan, Svoboda, Ingrid
Format: Artikel
Sprache:eng
Schlagworte:
Ab-initio Calculation
Crystal Structure
First Hyperpolarizability
Nonlinear Optics
UV-visible Spectroscopy
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container_issue 5
container_start_page 376
container_title Zeitschrift für Naturforschung. A, A journal of physical sciences
container_volume 60
creator Karakaş, Aslı
Ünver, Hüseyin
Elmali, Ayhan
Svoboda, Ingrid
description 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. . .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 Møller Plesset perturbation theory) of the studied compound have been carried out to compute the electric dipole moment (μ) and the first hyperpolarizability (β ) values. The ab-initio results also show that this ligand might have microscopic nonlinear optical behavior with non-zero values.
doi_str_mv 10.1515/zna-2005-0510
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subjects Ab-initio Calculation
Crystal Structure
First Hyperpolarizability
Nonlinear Optics
UV-visible Spectroscopy
title Study On The Second Order Optical Properties Of N-(2,4-Dichloro)-Salicylaldimine
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