电场对4-n-烷氧基-4 \(^\prime \) -氰联苯液晶系列电光电子性质的影响:DFT的应用

IF 1.9 4区物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY

Pramana Pub Date : 2023-06-15 DOI:10.1007/s12043-023-02570-9

Anoop Kumar Pandey, Abhishek Kumar, Ambrish Kumar Srivastava, Vijay Singh, Kamal Kumar Pandey, Apoorva Dwivedi, Madan Singh Chauhan, Dipendra Sharma

{"title":"电场对4-n-烷氧基-4 \\(^\\prime \\) -氰联苯液晶系列电光电子性质的影响:DFT的应用","authors":"Anoop Kumar Pandey, Abhishek Kumar, Ambrish Kumar Srivastava, Vijay Singh, Kamal Kumar Pandey, Apoorva Dwivedi, Madan Singh Chauhan, Dipendra Sharma","doi":"10.1007/s12043-023-02570-9","DOIUrl":null,"url":null,"abstract":"<div><p>In this study, electro-optical and electronic properties of 4-n-alkoxy-4<span>\\(^\\prime \\)</span>-cyanobiphenyl liquid crystal homologous series was explored. The effect of the number of carbon atoms present in the alkoxy chain on the electro-optical parameters and global reactivity descriptors has been investigated in the presence of applied electric field. Further, these parameters have also been studied under varying electric field for the homologue number, <span>\\(n = 8\\)</span>–12. Most of the parameters exhibit odd–even effect for a certain range of homologous numbers. The variation of the homologous number in the electric field is demonstrated to have a considerable impact on these outcomes.</p></div>","PeriodicalId":743,"journal":{"name":"Pramana","volume":"97 3","pages":""},"PeriodicalIF":1.9000,"publicationDate":"2023-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":"{\"title\":\"Influence of electric field on the electro-optical and electronic properties of 4-n-alkoxy-4\\\\(^\\\\prime \\\\)-cyanobiphenyl liquid crystal series: An application of DFT\",\"authors\":\"Anoop Kumar Pandey, Abhishek Kumar, Ambrish Kumar Srivastava, Vijay Singh, Kamal Kumar Pandey, Apoorva Dwivedi, Madan Singh Chauhan, Dipendra Sharma\",\"doi\":\"10.1007/s12043-023-02570-9\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>In this study, electro-optical and electronic properties of 4-n-alkoxy-4<span>\\\\(^\\\\prime \\\\)</span>-cyanobiphenyl liquid crystal homologous series was explored. The effect of the number of carbon atoms present in the alkoxy chain on the electro-optical parameters and global reactivity descriptors has been investigated in the presence of applied electric field. Further, these parameters have also been studied under varying electric field for the homologue number, <span>\\\\(n = 8\\\\)</span>–12. Most of the parameters exhibit odd–even effect for a certain range of homologous numbers. The variation of the homologous number in the electric field is demonstrated to have a considerable impact on these outcomes.</p></div>\",\"PeriodicalId\":743,\"journal\":{\"name\":\"Pramana\",\"volume\":\"97 3\",\"pages\":\"\"},\"PeriodicalIF\":1.9000,\"publicationDate\":\"2023-06-15\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"1\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Pramana\",\"FirstCategoryId\":\"4\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s12043-023-02570-9\",\"RegionNum\":4,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"PHYSICS, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Pramana","FirstCategoryId":"4","ListUrlMain":"https://link.springer.com/article/10.1007/s12043-023-02570-9","RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"PHYSICS, MULTIDISCIPLINARY","Score":null,"Total":0}

引用次数: 1

摘要

本研究探讨了4-n-烷氧基-4 \(^\prime \) -氰联苯液晶同源系列的电光电子性质。研究了在外加电场作用下，烷氧基链中碳原子数对其电光参数和整体反应性描述符的影响。此外，我们还研究了这些参数在不同电场条件下对同源数\(n = 8\) -12的影响。大多数参数对一定范围内的同源数表现出奇偶效应。在电场中同源数的变化被证明对这些结果有相当大的影响。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

查看原文本刊更多论文

Influence of electric field on the electro-optical and electronic properties of 4-n-alkoxy-4\(^\prime \)-cyanobiphenyl liquid crystal series: An application of DFT

In this study, electro-optical and electronic properties of 4-n-alkoxy-4\(^\prime \)-cyanobiphenyl liquid crystal homologous series was explored. The effect of the number of carbon atoms present in the alkoxy chain on the electro-optical parameters and global reactivity descriptors has been investigated in the presence of applied electric field. Further, these parameters have also been studied under varying electric field for the homologue number, \(n = 8\)–12. Most of the parameters exhibit odd–even effect for a certain range of homologous numbers. The variation of the homologous number in the electric field is demonstrated to have a considerable impact on these outcomes.

求助全文

通过发布文献求助，成功后即可免费获取论文全文。去求助

来源期刊

Pramana 物理-物理：综合

CiteScore

3.60

自引率

7.10%

发文量

206

审稿时长

3 months

期刊介绍： Pramana - Journal of Physics is a monthly research journal in English published by the Indian Academy of Sciences in collaboration with Indian National Science Academy and Indian Physics Association. The journal publishes refereed papers covering current research in Physics, both original contributions - research papers, brief reports or rapid communications - and invited reviews. Pramana also publishes special issues devoted to advances in specific areas of Physics and proceedings of select high quality conferences.