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首页> 外文期刊>Materials Chemistry and Physics >Experimental and theoretical study on the structure of acid orange 7-pillared layered double hydroxide
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Experimental and theoretical study on the structure of acid orange 7-pillared layered double hydroxide

机译：酸性橙7柱状层状双氢氧化物结构的实验和理论研究

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摘要

Acid orange 7-pillared layered double hydroxide (AO7-LDH) has been prepared by coprecipitation and studied with both experimental characterizations and theoretical calculations. XRD patterns indicate that the product has the typical intercalated structure of LDHs with a gallery height of 1.79 nm, showing that a kind of large anion has been intercalated into the interlayer space of the LDH. Infrared spectrum of A07-LDH shows that the product has the characteristic absorption bands of both azo and hydrazone forms of AO7 anion, as well as the Mg-O and Al-O vibrations of LDH layers, well convincing the intercalation of AO7 anions successful. TG-DTA curves demonstrate clearly that the thermal stability of AO7 can be enhanced by nearly 130℃ when it is intercalated into the LDH layers. According to the size of AO7 anion (1.25-1.27 nm) obtained by density functional calculations of quantum chemistry at the level of B3LYP/6-31G(d,p), the AO7 anions should be vertical-arranging in the interlayer space, forming a interdigitated structure.
机译：通过共沉淀法制备了酸性橙7柱状层状双氢氧化物（AO7-LDH），并通过实验表征和理论计算进行了研究。 XRD图谱表明该产物具有典型的LDHs插层结构，画廊高度为1.79 nm，表明一种大阴离子已插入LDH的层间空间。 A07-LDH的红外光谱表明，该产品具有AO7阴离子的偶氮和形式的特征吸收带，以及LDH层的Mg-O和Al-O振动，很好地证明了AO7阴离子的插入成功。 TG-DTA曲线清楚地表明，当AO7插入LDH层中时，其热稳定性可以提高近130℃。根据通过量子化学的密度泛函计算在B3LYP / 6-31G（d，p）水平获得的AO7阴离子的尺寸（1.25-1.27 nm），AO7阴离子应在层间空间中垂直排列，形成相互交叉的结构。

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