Nonlinear optical properties, spectroscopic studies and structure of 2-hydroxy-3-methoxy-N-(2-chloro-benzyl)-benzaldehyde-imine

被引：77

作者：

Ünver, H

Karakas, A

Elmali, A

机构：

[1] Ankara Univ, Fac Sci, Dept Phys, TR-06100 Ankara, Turkey

[2] Selcuk Univ, Fac Arts & Sci, Dept Phys, TR-42049 Konya, Turkey

[3] Ankara Univ, Fac Engn, Dept Engn Phys, TR-06100 Ankara, Turkey

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2004年 / 702卷 / 1-3期

关键词：

Schiff base ligand; IR; UV-Visible; X-ray diffraction; ab initio calculations;

D O I：

10.1016/j.molstruc.2004.06.008

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

2-Hydroxy-3-methoxy-N-(2-chloro-benzyl)-benzaldehyde-imine (C15H14O2NCl) has been synthesized and then, characterized by elemental analysis, X-ray analysis, IR, H-1-NMR, and UV-Visible spectroscopies. The whole molecule is not planar. Each molecule contains a strong O-(HN)-N-... hydrogen bond. To investigate the microscopic second-order nonlinear optical mechanism, the ab initio calculations of the electric dipole moments (mu) and the first hyperpolarizabilities (beta) on model ligand have been performed using the FF MP2 method. The ab initio results reveal that the title compound has relatively good nonlinear optical properties. (C) 2004 Elsevier B.V. All rights reserved.

引用

页码：49 / 54

页数：6

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