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Odd–even effect of 7O.m liquid crystal compound series studied under the effect of the electric field by density functional theory (DFT) methods

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Abstract

The homologous series of the organic compound N(p-n-heptyloxy-benzylidene) p-toluidine (7O.m) expresses the odd–even effect under the influence of an external applied electric field by density functional theory (DFT) methods. The dipole moment, order parameter, and birefringence express an odd–even effect. At the same time, the Homo–Lumo gap and isotropic polarizability do not exhibit any odd–even effect under the influence of an external applied electric field. The Homo–Lumo gap remains constant for the homologous series of 7O.m (m = 1–10). The isotropic polarizability and refractive index continuously increase with an extension of alkyl chain length. The DFT methods (B3LYP and M062X) exhibit the same nature of optical characteristics for all the series but with different values.

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Data availability statement

This manuscript has associated data in a data repository. [Authors’ comment: The datasets generated or analyzed during the current study are available from the corresponding author on reasonable request.]

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Acknowledgements

NK is very thankful to the university grants commission (UGC), New Delhi, for providing financial support (NFSC). Authors are very grateful to Dr. Anakuthil Anoop, Associate Professor, department of chemistry, Indian Institute of Technology Kharagpur (IITK), West Bengal, India, for providing the help of python aggregation. Pawan Singh and Shivani Chaudhary thankful to UGC for providing non-net fellowship.

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Authors and Affiliations

  1. Department of Physics, School for Physical and Decision Sciences, Babasaheb Bhimrao Ambedkar University, VidyaVihar, Raebareli Road, Lucknow, UP, 226025, India

    Narinder Kumar, Pawan Singh, Shivani Chaudhary, Khem B. Thapa & Devesh Kumar

  2. Department of Physics, Sri J. N. P. G College (KKC), Charbag, Lucknow, 226001, India

    Pranav Upadhyay

  3. Department of Physics, M. L. K. P. G. College, Balrampur, UP, 271201, India

    A. K. Dwivedi

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  1. Narinder Kumar
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Correspondence to Devesh Kumar.

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Kumar, N., Singh, P., Upadhyay, P. et al. Odd–even effect of 7O.m liquid crystal compound series studied under the effect of the electric field by density functional theory (DFT) methods. Eur. Phys. J. Plus 135, 388 (2020). https://doi.org/10.1140/epjp/s13360-020-00386-9

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