Electronic Absorption Spectra and Nonlinear Optical Properties of Ruthenium Acetylide Complexes: A DFT Study Toward the Designing of New High NLO Response Compounds
Janjua, Muhammad Ramzan Saeed Ashraf; Mahmood, Asif; Nazar, Muhammad Faizan; Yang, Zhihua; Pan, Shilie
2014
发表期刊ACTA CHIMICA SLOVENICA
ISSN1318-0207
卷号61期号:2页码:382-390
摘要In this study we have used density functional theory (DFT) to calculate nonlinear optical properties and simulate the UV-VIS absorption spectra of ruthenium acetylide complexes. Among the studied systems, system 4 has shown highest non-linear optical properties (alpha = 72.92 x 10(-24)esu and beta = 76.32 x 10(-30)esu). New compounds have been theoretically designed by the extension of conjugation length and substitution of electron withdrawing atom/groups as acceptor on system 4. All designed compounds show intense band due to metal-to-ligand charge transfer (MLCT). Second-order polarizability of new design compounds was remarkably high as compared to system 4 (123.35 x 10(-30) to 360.23 x 10(-30)esu). Effect of acceptors was more prominent than pi-spacers. Results of theoretical investigation indicate that all systems should be excellent non-linear optical materials.
关键词Ruthenium Acetylide Density Functional Theory (Dft) Non-linear Optics
收录类别SCI
WOS记录号WOS:000336963700021
引用统计
被引频次:6[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.xjipc.cas.cn/handle/365002/3821
专题中国科学院特殊环境功能材料与器件重点试验室
作者单位Chinese Acad Sci, Key Lab Funct Mat & Devices Special Environm, Xinjiang Tech Inst Phys & Chem, Xinjiang Key Lab Elect Informat Mat & Devices, Urumqi 830011, Peoples R China;Univ Sargodha, Dept Chem, Sargodha, Pakistan;Univ Gujrat, Dept Chem, Gujrat, Pakistan
推荐引用方式
GB/T 7714
Janjua, Muhammad Ramzan Saeed Ashraf,Mahmood, Asif,Nazar, Muhammad Faizan,et al. Electronic Absorption Spectra and Nonlinear Optical Properties of Ruthenium Acetylide Complexes: A DFT Study Toward the Designing of New High NLO Response Compounds[J]. ACTA CHIMICA SLOVENICA,2014,61(2):382-390.
APA Janjua, Muhammad Ramzan Saeed Ashraf,Mahmood, Asif,Nazar, Muhammad Faizan,Yang, Zhihua,&Pan, Shilie.(2014).Electronic Absorption Spectra and Nonlinear Optical Properties of Ruthenium Acetylide Complexes: A DFT Study Toward the Designing of New High NLO Response Compounds.ACTA CHIMICA SLOVENICA,61(2),382-390.
MLA Janjua, Muhammad Ramzan Saeed Ashraf,et al."Electronic Absorption Spectra and Nonlinear Optical Properties of Ruthenium Acetylide Complexes: A DFT Study Toward the Designing of New High NLO Response Compounds".ACTA CHIMICA SLOVENICA 61.2(2014):382-390.
条目包含的文件
文件名称/大小 文献类型 版本类型 开放类型 使用许可
Electronic Absorptio(375KB)期刊论文作者接受稿开放获取CC BY-NC-SA浏览 请求全文
个性服务
推荐该条目
保存到收藏夹
查看访问统计
导出为Endnote文件
谷歌学术
谷歌学术中相似的文章
[Janjua, Muhammad Ramzan Saeed Ashraf]的文章
[Mahmood, Asif]的文章
[Nazar, Muhammad Faizan]的文章
百度学术
百度学术中相似的文章
[Janjua, Muhammad Ramzan Saeed Ashraf]的文章
[Mahmood, Asif]的文章
[Nazar, Muhammad Faizan]的文章
必应学术
必应学术中相似的文章
[Janjua, Muhammad Ramzan Saeed Ashraf]的文章
[Mahmood, Asif]的文章
[Nazar, Muhammad Faizan]的文章
相关权益政策
暂无数据
收藏/分享
文件名: Electronic Absorption Spectra and Nonlinear Optical Properties of Ruthenium Acetylide Complexes A DFT Study Toward the Designing of New High NLO Response Compounds .pdf
格式: Adobe PDF
所有评论 (0)
暂无评论
 

除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。