电场作用下同源系列HnCBP液晶电光性质的奇偶效应研究:理论方法

IF 1 Q4 CHEMISTRY, MULTIDISCIPLINARY Iranian journal of mathematical chemistry Pub Date : 2020-12-01 DOI:10.22052/IJMC.2020.232036.1503
Narinder Kumar, Pawan Singh, K. Thapa, Devesh Kumar
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引用次数: 1

摘要

通线式HO-(CnH2n+1)- o - c6h4 - c6h4 - cn (n=1-12)的液晶(LC) 4-4′-二取代联苯(HnCBP)在外加电场作用下表现出奇偶效应。在HOMO-LUMO隙、双折射、序参量和偶极矩等方面观察到奇偶效应。烷基链奇碳原子序数向上呈现HOMO-LUMO间隙、双折射和序参量,烷基链偶碳原子序数向下呈现;偶极矩表现为烷基链偶碳数向上移动,烷基链奇碳数向下移动。
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Odd-Even Effect Observed in the Electro-Optical Properties of the Homologous Series of HnCBP Liquid Crystal Studied under the Impact of the Electric Field: A Theoretical Approach
The liquid crystal (LC) 4-4′-disubstituted biphenyls (HnCBP) of the general line formula HO-(CnH2n+1)-O-C6H4-C6H4-CN (n=1-12) shows the odd-even effect under the applied electric field. The odd-even effects are observed in the HOMO-LUMO gap, birefringence, order parameter, and dipole moment. The odd carbon atom number of alkyl chain shows HOMO-LUMO gap, birefringence and order parameter in the upward direction and even carbon atom number of alkyl chain shows in the downward direction; however the dipole moment exhibits a shift of even carbon number of alkyl chain in the upward direction and odd carbon number of alkyl chain in the downward direction.
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来源期刊
Iranian journal of mathematical chemistry
Iranian journal of mathematical chemistry CHEMISTRY, MULTIDISCIPLINARY-
CiteScore
2.10
自引率
7.70%
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