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Proton transfer in polyamine–P2Mo5 model adducts: exploring the effect of polyamine cations on their proton conductivity
Dalton Transactions ( IF 3.5 ) Pub Date : 2020-11-06 , DOI: 10.1039/d0dt03446k
Shan Zhang 1, 2, 3, 4, 5 , Ying Lu 1, 2, 3, 4, 5 , Xiuwei Sun 1, 2, 3, 4, 5 , Zhuo Li 1, 2, 3, 4, 5 , Tianyi Dang 1, 2, 3, 4, 5 , Shuxia Liu 1, 2, 3, 4, 5
Affiliation  

Constructing acid–base pairs is one of the efficient strategies for the design of proton conductors with high conductivity, due to the ultrafast proton-hopping with a low energy barrier between a proton donor (acid group) and an acceptor (base group). In this study, an acid–base adduct polyamine–P2Mo5 model system was established, including adducts [C6N4H22][H2P2Mo5O23]·H2O (P2Mo5-TETA), [C4N3H16]2[P2Mo5O23]·H2O (P2Mo5-DETA), and [C2N2H10]2[H2P2Mo5O23] (P2Mo5-EN), (TETA = triethylenetetramine, DETA = diethylenetriamine, EN = ethanediamine). Proton conductivity analyses showed that adduct P2Mo5-EN exhibited the highest proton conductivity 1.13 × 10−2 S cm−1 at 65 °C and 95% RH, which was one and three orders of magnitude greater than those of P2Mo5-DETA and P2Mo5-TETA under the same conditions. Ea values of all three adducts are lower than 0.4 eV, which indicates that their proton transfer is attributed to the Grotthuss mechanism. Combined with visual structure analysis, the proton transport pathways of three adducts are highlighted. Moreover, we use this model system to discuss in detail the effect of pKa, proton density and size of polyamine molecules on the proton conductivity of organic amine-POM adducts.

中文翻译:

聚胺-P2Mo5模型加合物中的质子转移:探讨聚胺阳离子对其质子电导率的影响

构造酸碱对是设计具有高电导率的质子导体的有效策略之一,这是由于质子供体(酸基团)和受体(碱基团)之间的能垒低,超快质子跳跃。在这项研究中,酸-碱加合物的聚胺-P 25模型系统建立,包括加合物[C 6 Ñ 4 ħ 22 ] [H 2 P 25 ø 23 ]·H 2 O(P 25 - TETA),[C 4 N 3 H 16 ] 2 [P2 Mo 5 O 23 ]·H 2 O( P 2 Mo 5 -DETA)和[C 2 N 2 H 10 ] 2 [H 2 P 2 Mo 5 O 23 ]( P 2 Mo 5 -EN),(TETA =三亚乙基四胺,DETA =二亚乙基三胺,EN =乙二胺)。质子电导率分析表明加合物P 2 Mo 5 -EN表现出最高的质子电导率1.13×10 -2 S cm -1在65°C和95%RH的条件下,比相同条件下P 2 Mo 5 -DETAP 2 Mo 5 -TETA分别大一个和三个数量级。所有三个加合物的E a值均低于0.4 eV,这表明它们的质子转移归因于格罗特斯机制。结合视觉结构分析,突出了三种加合物的质子传输途径。此外,我们使用该模型系统来详细讨论p K a,质子密度和多胺分子大小对有机胺-POM加合物的质子电导率的影响。
更新日期:2020-11-18
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