Zhang Bingzi, Long Hai, Kaspar Robert B, Wang Junhua, Gu Shuang, Zhuang Zhongbin, Pivovar Bryan, Yan Yushan
Department of Chemical and Biomolecular Engineering, University of Delaware Newark DE 19716 USA
National Renewable Energy Laboratory, MS ESIF302 15013 Denver West Parkway Golden Colorado 80401 USA.
RSC Adv. 2018 Jul 25;8(47):26640-26645. doi: 10.1039/c8ra03440k. eCollection 2018 Jul 24.
Alkali-stable quaternary phosphonium (QP) is a type of cationic group for hydroxide exchange membranes (HEMs). To elucidate the relationship between structure and alkaline stability, we investigated the kinetics and degradation mechanism of a series of QP cations by both experiment and computation, and established a semi-empirical formula based on the Taft equation to directly estimate alkaline stability of QP cations from the P NMR chemical shift and the steric substituent constant , facilitating the search for QP cations with improved alkaline stability.
碱稳定季鏻（QP）是用于氢氧化物交换膜（HEM）的一种阳离子基团。为阐明结构与碱稳定性之间的关系，我们通过实验和计算研究了一系列QP阳离子的动力学和降解机理，并基于塔夫脱方程建立了一个半经验公式，以根据磷核磁共振化学位移和空间取代常数直接估算QP阳离子的碱稳定性，这有助于寻找具有更高碱稳定性的QP阳离子。
