RT info:eu-repo/semantics/article T1 New Insights in the Synthesis of High-Molecular-Weight Aromatic Polyamides-Improved Synthesis of Rod-like PPTA A1 Hernández, Guiomar A1 Ferrero, Sergio A1 Reinecke, Helmut A1 Bartolomé Albistegui, María del Camino A1 Martínez de Ilarduya Martínez de Ilarduya, Jesús María A1 Álvarez Colomo, Cristina A1 Lozano, Ángel E. K1 Polyamidation K1 DFT molecular simulation K1 Poliamidación K1 Simulación molecular DFT K1 23 Química AB By employing a variation of the polyamidation method using in situ silylated diamines and acid chlorides, it was possible to obtain a rod-type polyamide: poly(p-phenylene terephthalamide) (PPTA, a polymer used in the high-value-added material Kevlar), with a molecular weight much higher than that obtained with the classical and industrial polyamidation method. The optimization of the method has consisted of using, together with the silylating agent, a mixture of pyridine and a high-pKa tertiary amine. The research was complemented by a combination of nuclear magnetic resonance and molecular simulation studies, which determined that the improvements in molecular weight derive mainly from the formation of silylamide groups in the growing polymer. PB MDPI YR 2023 FD 2023 LK https://uvadoc.uva.es/handle/10324/59404 UL https://uvadoc.uva.es/handle/10324/59404 LA eng NO International Journal of Molecular Sciences, 2023, 24(3), 2734; NO Producción Científica DS UVaDOC RD 18-may-2024