The static and frequency‐dependent second‐ and third‐order nonlinear optical properties of Zn(II) and Ni(II) complexes of 4‐methoxypyridine‐2‐carboxylic acid: A detailed experimental and theoretical study

Author:

Tamer Ömer1ORCID,Dege Necmi2ORCID,Avcı Davut1ORCID,Atalay Yusuf1ORCID

Affiliation:

1. Physics Department, Faculty of Science Sakarya University Sakarya Turkey

2. Physics Department, Faculty of Science Ondokuz Mayıs University Samsun Turkey

Abstract

Novel Zn(II) and Ni(II) complexes, [Zn(MeOPic)2(H2O)2] and [Ni(MeOPic)2(H2O)2] (MeOHPic = 4‐methoxypyridine‐2‐carboxylic acid [4meOHPic]), have been prepared and characterized by X‐ray diffraction (XRD), Fourier transform infrared (FTIR), and ultraviolet–visible (UV–Vis) techniques. Crystal structure analysis demonstrated that the 4meOHPic ligand is coordinated as a two‐dentate ligand through N and O atoms to central metal ions, and both of the complexes have distorted octahedral coordination geometry. The DFT‐B3LYP/6‐311++G(d,p)/LanL2DZ level was executed to perform DFT calculations for the Zn(II) complex with singlet spin state and the Ni(II) complex with triplet spin state. The UV–Vis electronic absorption spectra and natural bonding orbital (NBO) analyses also demonstrated that ligand–ligand and metal–ligand charge transfer interactions occur in Zn(II) and Ni(II) complexes. However, static and frequency‐dependent first‐order hyperpolarizability (β) parameters were found to be low because of the centrosymmetric crystal structures. As for the second‐order hyperpolarizabilities, the quadratic electro‐optical Kerr effect γ (−ω;ω,0,0) and electric field induced second harmonic generation γ (−2ω;ω,ω,0) parameters were calculated as 13.04 × 10−36 and 2258.9 × 10−36 esu for Ni(II) complex. Accordingly, it was demonstrated that Ni(II) complex is a potential candidate for third‐order nonlinear optical (NLO) materials.

Funder

Sakarya Üniversitesi

Publisher

Wiley

Subject

Inorganic Chemistry,General Chemistry

Cited by 1 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献

同舟云学术

1.学者识别学者识别

2.学术分析学术分析

3.人才评估人才评估

"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370

www.globalauthorid.com

TOP

Copyright © 2019-2024 北京同舟云网络信息技术有限公司
京公网安备11010802033243号  京ICP备18003416号-3