The investigation of nonlinear optical properties of N-(3-fluorophenyl)naphthaldimine

被引：40

作者：

Ünver, H

Karakas, A

Elmali, A

Durlu, TN

机构：

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

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

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

[4] Kirikkale Univ, Dept Phys, Fac Arts & Sci, TR-71450 Kirikkale, Turkey

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2005年 / 737卷 / 2-3期

关键词：

nonlinear optical properties; bathochromic shift; electric dipole moment; first hyperpolarizability; Moller Plesset perturbation theory;

D O I：

10.1016/j.molstruc.2004.10.016

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：

A new ligand N-(3-fluorophenyl)naphthaldimine (C17H12NOF) has been synthesized. The physical properties and structure of this ligand have been characterized by X-ray diffraction analysis, elemental analysis, FT-IR, H-1-NMR and UV-visible spectroscopies. It is found that the title compound has solvatochromic behavior in the UV and visible regions, implying non-zero microscopic first hyperpolarizability. The electric dipole moment (mu) and the first hyperpolarizability (beta) values of the investigated molecule have been computed using ab initio quantum mechanical calculations (finite field second-order Moller Plesset perturbation theory). The calculation results also reveal that the synthesized molecule might have microscopic nonlinear optical (NLO) behavior with non-zero values. (C) 2004 Elsevier B.V. All rights reserved.

引用

页码：131 / 137

页数：7