Anisotropy (optical, electrical and thermal conductivity) in thin polarizing films for UV/Vis regions of spectrum: Experimental and theoretical investigations

Hooriye Yahyaei; Siyamak Shahab; Masoome Sheikhi; Liudmila Filippovich; Hora A Almodarresiyeh; Rakesh Kumar; Evgenij Dikusar; Mostafa Yousefzadeh Borzehandani; Radwan Alnajjar

doi:10.1016/j.saa.2017.11.029

Anisotropy (optical, electrical and thermal conductivity) in thin polarizing films for UV/Vis regions of spectrum: Experimental and theoretical investigations

Spectrochim Acta A Mol Biomol Spectrosc. 2018 Mar 5:192:343-360. doi: 10.1016/j.saa.2017.11.029. Epub 2017 Nov 13.

Authors

Hooriye Yahyaei¹, Siyamak Shahab², Masoome Sheikhi³, Liudmila Filippovich⁴, Hora A Almodarresiyeh⁵, Rakesh Kumar⁶, Evgenij Dikusar⁷, Mostafa Yousefzadeh Borzehandani⁸, Radwan Alnajjar⁹

Affiliations

¹ Department of Chemistry, Zanjan Branch, Islamic Azad University, Zanjan, Iran. Electronic address: Hooriye_yahyaei@yahoo.com.
² International Sakharov Environmental University, Department of Biochemistry and Biophysics, 23 Dolgobrodskaya Str., 220009 Minsk, Belarus; Institute of Physical Organic Chemistry, National Academy of Sciences of Belarus,13 Surganov Str., Minsk 220072, Belarus; Institute of Chemistry of New Materials, National Academy of Sciences of Belarus, 36 Skarina Str., Minsk 220141, Belarus. Electronic address: siyamak.shahab@yahoo.com.
³ Department of Chemistry, Gorgan Branch, Islamic Azad University, Gorgan, Iran. Electronic address: m.sheikhi2@gmail.com.
⁴ Institute of Physical Organic Chemistry, National Academy of Sciences of Belarus,13 Surganov Str., Minsk 220072, Belarus; Institute of Chemistry of New Materials, National Academy of Sciences of Belarus, 36 Skarina Str., Minsk 220141, Belarus. Electronic address: luda1977@list.ru.
⁵ Institute of Physical Organic Chemistry, National Academy of Sciences of Belarus,13 Surganov Str., Minsk 220072, Belarus. Electronic address: h_al1994@yahoo.com.
⁶ Department of Chemistry, DAV University, Jalandhar -144012 (Punjab) India. Electronic address: rakesh_nitj@yahoo.co.in.
⁷ Institute of Physical Organic Chemistry, National Academy of Sciences of Belarus,13 Surganov Str., Minsk 220072, Belarus. Electronic address: dikusar@ifoch.bas-net.by.
⁸ Young Researchers and Elite Club, Rasht Branch, Islamic Azad University, Rasht, Iran. Electronic address: jan_1989@ymail.com.
⁹ Department of Chemistry, Faculty of Science, University of Benghazi, Benghazi, Libya. Electronic address: radwan.alnajjar@uob.edu.ly.

PMID: 29179085
DOI: 10.1016/j.saa.2017.11.029

Abstract

In the present work, the quantum theoretical calculations of the molecular structures of the three newly synthesized azomethine dyes: have been predicted using Density Functional Theory (DFT) in solvent dimethylformamide (DMF). The geometries of the azomethine dyes were optimized using the PBE1PBE/6-31+G level of the theory. In addition, the electronic spectra of these compounds in solvent DMF were carried out using the TDPBE1PBE, TDPBEPBE, TDB3LYP methods with 6-31G, 6-31+G, 6-31+G*, 6-31++G* basis sets. After quantum-chemical calculations three new azomethine dyes for optoelectronic applications were synthesized. Based on polyvinyl alcohol (PVA) and the new synthesized azomethine dyes polarizing films for UV/Vis regions of the spectrum were developed. The main optical parameters of polarizing PVA-films (Transmittance and Polarization Efficiency) have been measured and discussed. Anisotropy of electrical and thermal conductivity of the PVA-films has been investigated.

Keywords: Anisotropy of optical; Azomethine dye; Electrical and thermal conductivity; PVA matrix; Polarization.

Publication types

Review