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首页> 外文期刊>Journal of Applied Polymer Science >Synthesis and Physicochemical Characterization of Poly(azomethine)esters Containing Aliphatic/Aromatic Moieties: Electrical Studies Complemented by DFT Calculation
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Synthesis and Physicochemical Characterization of Poly(azomethine)esters Containing Aliphatic/Aromatic Moieties: Electrical Studies Complemented by DFT Calculation

机译：含脂肪族/芳香族部分的聚（偶氮甲亚胺）酯的合成和理化特性：电学研究与DFT计算相辅相成

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摘要

A conducting poly(azomethine)ester was prepared by solution phase polycondensation of a preformed Schiff base, 4-((4-(4-(4-hydroxybenzlideneamino) phenoxy)phenylimino)methyl)phenol and isophthaloyl chloride (I). Different aliphatic/aromatic moieties were incorporated for examining their effect on the electronic properties of material. The resulting polymers (10~(-4) to 25 S cm~(-1)) were doped with silver (10~(26) to 10~(22) S cm~(-1)) and blended with polyaniline (10~(21) to 13.4 S cm~(-1)) to enhance their electrical conductivity. Polymer/polyaniline blends had superior conductivity even at low polyaniline concentration relative to the silver-doped chains. The data obtained experimentally were complemented by density function theory at the 6–31G/B3LYP level. The results showed that DE along with lowest unoccupied molecular orbital and highest occupied molecular orbital electron density accounts for the electrical properties. Spectroscopic (~1HNMR, FTIR) and elemental analysis were used for structural elucidation. Structure– property relation in term of WXRD, SEM-EDX, atomic force microscope, LLS, and thermal behavior was studied.
机译：通过预先形成的席夫碱，4-（（4-（4-（4-（4-羟基苯甲叉基氨基）苯氧基）苯基亚氨基）甲基）苯酚和间苯二甲酰氯（I）的溶液相缩聚制备导电聚（偶氮甲亚胺）酯。掺入了不同的脂族/芳族部分，以检查它们对材料电子性能的影响。将所得聚合物（10〜（-4）至25 S cm〜（-1））掺入银（10〜（26）至10〜（22）S cm〜（-1）），然后与聚苯胺（10 〜（21）至13.4 S cm〜（-1））以增强其导电性。相对于掺银链，即使在低聚苯胺浓度下，聚合物/聚苯胺共混物也具有优异的导电性。实验获得的数据在6–31G / B3LYP水平得到了密度泛函理论的补充。结果表明，DE连同最低的未占据分子轨道和最高的占据分子轨道电子密度共同构成了电学性质。光谱分析（〜1HNMR，FTIR）和元素分析用于结构阐明。研究了WXRD，SEM-EDX，原子力显微镜，LLS和热行为等方面的结构-性质关系。

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