Error message

  • Deprecated function: Unparenthesized `a ? b : c ? d : e` is deprecated. Use either `(a ? b : c) ? d : e` or `a ? b : (c ? d : e)` in include_once() (line 1439 of /home/science2016/public_html/includes/bootstrap.inc).
  • Deprecated function: Array and string offset access syntax with curly braces is deprecated in include_once() (line 3557 of /home/science2016/public_html/includes/bootstrap.inc).

The Quantum-Chemical and Spectral Criteria for Hydrogen Bonding Efficiency in Structural Analysis of Aramides

Andrey Tokar1, Olga Chigvintseva1
Affiliation: 
1 Dnipro State University of Agriculture and Economics, 25, S. Yefremov St., 49600 Dnipro, Ukraine atokar_2004@ukr.net
DOI: 
https://doi.org/10.23939/chcht15.01.009
AttachmentSize
PDF icon full_text.pdf320.66 KB

Keywords:

Abstract: 
Some features of hydrogen bonding effects for the phenylon polymer matrix filled with a terlon fiber have been investigated at ab initio approximation. The results of calculations for isolated and dimerized structural forms of N-phenylbenzamide as a model compound are in good agreement with the spectral data for this composite material building.
References: 

[1] Poly-m-fenilenizoftalamid (fenilon). Poly-p-fenilentereftalamid [in:] I. Knunyants (Ed.), Khimiya. Bolshoy Entsiklopedicheskiy Slovar. Bolshaya Rossiyskaya Entsiklopediya, Moskva 1998, 468.
[2] Burya A., Chigvintseva O.: Primenenie Polimernykh Materialov i Kompozitov na ikh Osnove v Avtomobilestroenii. Fedorchenko A.A., Dnepropetrovsk 2010.
[3] Burya А., Naberezhnaya O., Terenin V. et al.: Problemy Tertya ta Znoshuvannya, 2015, 3, 51.
[4] Thompson J.: Infrared Spectroscopy. Jenny Stanford Publishing, Pan Stanford 2018.
[5] Butyirskaya Е.: Kompyuternaya Khimiya: Osnovy Teorii i Rabota s Programmami Gaussian i GaussView. SOLON-PRESS, Moskva 2011.
[6] Tokar A., Synchuk E., Chigvintseva O.: Chem. Chem. Technol., 2017, 11, 405. https://doi.org/10.23939/chcht11.04.405
[7] Weinhold F., Landis C.: Discovering Chemistry With Natural Bond Orbitals. John Wiley & Sons, New Jersey 2012.
[8] Sordo J.: J. Mol. Struct., 2001, 537, 245. https://doi.org/10.1016/S0166-1280(00)00681-3
[9] Weinhold F.: J. Comput. Chem., 2012, 33, 2363. https://doi.org/10.1002/jcc.23060
[10] Kolandaivel P., Nirmala V.: J. Mol. Struct., 2004, 694, 33. https://doi.org/10.1016/j.molstruc.2004.01.030
[11] Munshi P., Guru Row T.: CrystEngComm., 2005, 7, 608. https://doi.org/10.1039/B511944H
[12] Zhikol O., Shishkin O., Lyssenko K. et al.: J. Chem. Phys., 2005, 122, 144104. https://doi.org/10.1063/1.1877092
[13] Hill J., Platts J., Werner H.: Chem. Phys. Phys. Chem., 2006, 8, 4072. https://doi.org/10.1039/b608623c
[14] Tsirelson V.: Kvantovaya Khimiya. Molekuly, Molekulyarnye Systemy i Tverdye Tela. BINOM. Laboratoriya znaniy, Moskva 2010.
[15] Merrick J., Moran D., Radom L.: J. Phys. Chem. A., 2007, 111, 11683. https://doi.org/10.1021/jp073974n
[16] Vorsina I., Grigoreva T., Vosmerikov S. et al.: Nauka i Studia, 2015, 5, 20.
[17] Lirova B., Rusinova E.: Analiz Polimernykh Kompozitsionnykh Materialov. Izd-vo Uralskogo Univ., Ekaterinburg 2008.
[18] Redchuk A., Burya A.: Polimerniy Zh., 2011, 33, 128.
[19] http://www.consol.ca/downloads/Statistics_in_Chemistry.pdf