Features of Hydrogen Bonds in Aromatic Polyamides Containing Benzimidazole Groups According to Ab Initio Quantum Chemical Calculations

被引：6

作者：

Abronin, I. A. ^{[1
]}

Bandurkin, A. V. ^{[2
]}

Volkova, L. V. ^{[1
]}

Shablygin, M. V. ^{[2
]}

机构：

[1] MAMI Moscow State Tech Univ, Moscow, Russia

[2] Moscow State Univ Design & Technol, Moscow, Russia

来源：

FIBRE CHEMISTRY | 2016年 / 47卷 / 05期

关键词：

Benzamides; Aramid Fiber; Aromatic Polyamide; Terephthalamide; Specific Intermolecular Interaction;

D O I：

10.1007/s10692-016-9696-3

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Results of the analysis of the influence of hydrogen bonds in aromatic polyamides on technological processing methods for the production of heavy-duty aramid yarns CVM, Rusar, and Ruslan are presented herein. Quantum-chemical calculations of model fragments in conjunction with vibrational spectra in the infrared range have shown that, depending on the hydrogen bonds between the benzimidazole groups, "self-orientation" processes emerge caused by the increase in energy of the hydrogen bonds in the aramid yarns and fibers. This explains the uniquely high values describing mechanical properties of the yarns and their performance characteristics in cloths, plastics, and spool products.

引用

页码：377 / 379

页数：3

共 50 条

[1] Features of Hydrogen Bonds in Aromatic Polyamides Containing Benzimidazole Groups According to Ab Initio Quantum Chemical Calculations
I. A. Abronin
A. V. Bandurkin
L. V. Volkova
M. V. Shablygin
Fibre Chemistry, 2016, 47 : 377 - 379
[2] Hydrogen bonds between hydrogen fluoride and aromatic azines: An ab initio study
Rusu, Victor H.
Ramos, Mozart N.
Da Silva, Joao Bosco P.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2006, 106 (13) : 2811 - 2817
[3] STATE OF THE LITHIUM IONS IN THE SULFOSTYRENE CATION EXCHANGER ACCORDING TO AB INITIO QUANTUM CHEMICAL CALCULATIONS
Soldatov, Vladimir S.
Kasandrovich, Evgenii G.
Bezyazychnaya, Tatiana, V
DOKLADY NATSIONALNOI AKADEMII NAUK BELARUSI, 2020, 64 (04): : 421 - 425
[4] Bifurcated hydrogen bonds in DNA crystal structures. An ab initio quantum chemical study
1600, (116):
[5] Ab initio calculations on conventional and unconventional hydrogen bonds - Study of the hydrogen bond strength
Grabowski, SJ
JOURNAL OF PHYSICAL CHEMISTRY A, 2001, 105 (47): : 10739 - 10746
[6] Electronic structure of silicon nitride according to ab initio quantum-chemical calculations and experimental data
S. S. Nekrashevich
V. A. Gritsenko
R. Klauser
S. Gwo
Journal of Experimental and Theoretical Physics, 2010, 111 : 659 - 666
[7] Electronic structure of silicon nitride according to ab initio quantum-chemical calculations and experimental data
Nekrashevich, S. S.
Gritsenko, V. A.
Klauser, R.
Gwo, S.
JOURNAL OF EXPERIMENTAL AND THEORETICAL PHYSICS, 2010, 111 (04) : 659 - 666
[8] Calculations of β-factors by ab initio quantum-chemical methods
Bochkarev, AV
Trefilova, AN
Tsurkov, NA
Klinskii, GD
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY, 2003, 77 (04): : 622 - 626
[9] Organic-Clay Interfacial Chemical Bonds Probed by ab Initio Calculations
Bocquet, Marie-Laure
Coasne, Benoit
Pellenq, Roland
Ulm, Franz-Joseph
JOURNAL OF PHYSICAL CHEMISTRY C, 2015, 119 (12): : 6511 - 6517
[10] SIMPLIFIED AB-INITIO CALCULATIONS ON HYDROGEN-CONTAINING MOLECULES
BROWN, RD
BURDEN, FR
WILLIAMS, GR
PHILLIPS, LF
THEORETICA CHIMICA ACTA, 1971, 21 (02): : 205 - &

← 1 2 3 4 5 →