Quantum-chemical calculations using the Density Functional Theory (DFT) approach for structural analysis of a new azo benzene derivative: Sodium 6-amino-5-hydroxy-3-((E)-(2-methoxy-4-((E)-(4-sulfonatophenyl)diazenyl)phenyl)diazenyl)naphthalene-2-sulfonate (A) (trans isomer) was designed using B3LYP method with 6-311++G** basis set. The electronic absorption spectrum of the A in water solution was calculated using TDB3LYP/6-311++G** method. The excitation energies, electronic transitions and oscillator strengths for studied structure have also been calculated. On the basis of calculations a new dichroic azobenzene dye A was synthesized. The experimental UV-Vis, FT-IR and 1H NMR spectra of the title molecule were presented. On the basis of polyvinyl alcohol (PVA) and the dichroic synthesized azobenzene dye A thermostable polarizing film absorbing in the seen region of the spectrum (λmax = 550nm) with Polarization Efficiency (PE) in the absorption maximum (λmax = 92%) and Stretching Degree (Rs) = 3.0 was developed. The experimental spectral-polarization parameters of stretched colored PVA-films were measured. During the work it was established that oriented PVA-films is phenomenon of anisotropy of thermal conductivity (λ‖/λ⊥). Thermal conductivity in a direction of orientation (λ‖) is higher than in a direction perpendicular orientations (λ⊥).
Published in | American Journal of Materials Synthesis and Processing (Volume 2, Issue 2) |
DOI | 10.11648/j.ajmsp.20170202.11 |
Page(s) | 17-23 |
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This is an Open Access article, distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution and reproduction in any medium or format, provided the original work is properly cited. |
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Copyright © The Author(s), 2017. Published by Science Publishing Group |
Polarizer Film, Dichroic Dye, Thermal Conductivity, Polarization Efficiency
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APA Style
Siyamak Shahab, Liudmila Filippovich, Masoome Sheikhi, Hooriye Yahyaei, Maria Aharodnikova, et al. (2017). Spectroscopic (Polarization, ExcitedState, FT-IR, UV/Vis and 1H NMR) and Thermophysical Investigations of New Synthesized Azo Dye and Its Application in Polarizing Film. American Journal of Materials Synthesis and Processing, 2(2), 17-23. https://doi.org/10.11648/j.ajmsp.20170202.11
ACS Style
Siyamak Shahab; Liudmila Filippovich; Masoome Sheikhi; Hooriye Yahyaei; Maria Aharodnikova, et al. Spectroscopic (Polarization, ExcitedState, FT-IR, UV/Vis and 1H NMR) and Thermophysical Investigations of New Synthesized Azo Dye and Its Application in Polarizing Film. Am. J. Mater. Synth. Process. 2017, 2(2), 17-23. doi: 10.11648/j.ajmsp.20170202.11
AMA Style
Siyamak Shahab, Liudmila Filippovich, Masoome Sheikhi, Hooriye Yahyaei, Maria Aharodnikova, et al. Spectroscopic (Polarization, ExcitedState, FT-IR, UV/Vis and 1H NMR) and Thermophysical Investigations of New Synthesized Azo Dye and Its Application in Polarizing Film. Am J Mater Synth Process. 2017;2(2):17-23. doi: 10.11648/j.ajmsp.20170202.11
@article{10.11648/j.ajmsp.20170202.11, author = {Siyamak Shahab and Liudmila Filippovich and Masoome Sheikhi and Hooriye Yahyaei and Maria Aharodnikova and Rakesh Kumar and Mehrnoosh Khaleghian}, title = {Spectroscopic (Polarization, ExcitedState, FT-IR, UV/Vis and 1H NMR) and Thermophysical Investigations of New Synthesized Azo Dye and Its Application in Polarizing Film}, journal = {American Journal of Materials Synthesis and Processing}, volume = {2}, number = {2}, pages = {17-23}, doi = {10.11648/j.ajmsp.20170202.11}, url = {https://doi.org/10.11648/j.ajmsp.20170202.11}, eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.ajmsp.20170202.11}, abstract = {Quantum-chemical calculations using the Density Functional Theory (DFT) approach for structural analysis of a new azo benzene derivative: Sodium 6-amino-5-hydroxy-3-((E)-(2-methoxy-4-((E)-(4-sulfonatophenyl)diazenyl)phenyl)diazenyl)naphthalene-2-sulfonate (A) (trans isomer) was designed using B3LYP method with 6-311++G** basis set. The electronic absorption spectrum of the A in water solution was calculated using TDB3LYP/6-311++G** method. The excitation energies, electronic transitions and oscillator strengths for studied structure have also been calculated. On the basis of calculations a new dichroic azobenzene dye A was synthesized. The experimental UV-Vis, FT-IR and 1H NMR spectra of the title molecule were presented. On the basis of polyvinyl alcohol (PVA) and the dichroic synthesized azobenzene dye A thermostable polarizing film absorbing in the seen region of the spectrum (λmax = 550nm) with Polarization Efficiency (PE) in the absorption maximum (λmax = 92%) and Stretching Degree (Rs) = 3.0 was developed. The experimental spectral-polarization parameters of stretched colored PVA-films were measured. During the work it was established that oriented PVA-films is phenomenon of anisotropy of thermal conductivity (λ‖/λ⊥). Thermal conductivity in a direction of orientation (λ‖) is higher than in a direction perpendicular orientations (λ⊥).}, year = {2017} }
TY - JOUR T1 - Spectroscopic (Polarization, ExcitedState, FT-IR, UV/Vis and 1H NMR) and Thermophysical Investigations of New Synthesized Azo Dye and Its Application in Polarizing Film AU - Siyamak Shahab AU - Liudmila Filippovich AU - Masoome Sheikhi AU - Hooriye Yahyaei AU - Maria Aharodnikova AU - Rakesh Kumar AU - Mehrnoosh Khaleghian Y1 - 2017/04/24 PY - 2017 N1 - https://doi.org/10.11648/j.ajmsp.20170202.11 DO - 10.11648/j.ajmsp.20170202.11 T2 - American Journal of Materials Synthesis and Processing JF - American Journal of Materials Synthesis and Processing JO - American Journal of Materials Synthesis and Processing SP - 17 EP - 23 PB - Science Publishing Group SN - 2575-1530 UR - https://doi.org/10.11648/j.ajmsp.20170202.11 AB - Quantum-chemical calculations using the Density Functional Theory (DFT) approach for structural analysis of a new azo benzene derivative: Sodium 6-amino-5-hydroxy-3-((E)-(2-methoxy-4-((E)-(4-sulfonatophenyl)diazenyl)phenyl)diazenyl)naphthalene-2-sulfonate (A) (trans isomer) was designed using B3LYP method with 6-311++G** basis set. The electronic absorption spectrum of the A in water solution was calculated using TDB3LYP/6-311++G** method. The excitation energies, electronic transitions and oscillator strengths for studied structure have also been calculated. On the basis of calculations a new dichroic azobenzene dye A was synthesized. The experimental UV-Vis, FT-IR and 1H NMR spectra of the title molecule were presented. On the basis of polyvinyl alcohol (PVA) and the dichroic synthesized azobenzene dye A thermostable polarizing film absorbing in the seen region of the spectrum (λmax = 550nm) with Polarization Efficiency (PE) in the absorption maximum (λmax = 92%) and Stretching Degree (Rs) = 3.0 was developed. The experimental spectral-polarization parameters of stretched colored PVA-films were measured. During the work it was established that oriented PVA-films is phenomenon of anisotropy of thermal conductivity (λ‖/λ⊥). Thermal conductivity in a direction of orientation (λ‖) is higher than in a direction perpendicular orientations (λ⊥). VL - 2 IS - 2 ER -