H/D Isotope Effects on the Short O-H center dot center dot center dot O Hydrogen Bond Geometries and Temperature-Dependent Polymorphism of Two Organic Salts Containing Hydrogen 2,3,5,6-Tetrafluorophthalate Monoanions

Miao Le-Ping; Liang Bei-Dou; Jin Tong; Han Xiang-Bin; Zhang Wen

首页> 外文期刊>Crystal growth & design >H/D Isotope Effects on the Short O-H center dot center dot center dot O Hydrogen Bond Geometries and Temperature-Dependent Polymorphism of Two Organic Salts Containing Hydrogen 2,3,5,6-Tetrafluorophthalate Monoanions

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H/D Isotope Effects on the Short O-H center dot center dot center dot O Hydrogen Bond Geometries and Temperature-Dependent Polymorphism of Two Organic Salts Containing Hydrogen 2,3,5,6-Tetrafluorophthalate Monoanions

机译：H / D同位素对短O-H中心点中心点中心点O氢键几何和温度依赖性多态性的两个有机盐的含氢2,3,5,6-四氟邻苯二甲酸盐单酸酯

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Geometric H/D isotope effects (GIE) refer to changes in chemical bond geometries, and they are particularly large in the case of hydrogen bonds. As a consequence, deuteration can exert an impact on bulk structures and related properties of hydrogen-bonded systems. Herein, we report the GIE in two O-H center dot center dot center dot O hydrogen-bonded organic salts based on monoanions of 2,3,5,6-tetrafluoroterephthalic acid. Upon deuteration, the short O center dot center dot center dot O distances of the hydrogen bonds become elongated with an increase of up to 0.024 angstrom. The crystals exhibit different structures around room temperature, i.e., H/D isotopic polymorphism, and the dynamic behaviors of the cations are tuned by showing a downward shift of the dielectric response temperature. Moreover, when considering the temperature dependence, the isotopic polymorphism of the two deuterated compounds only exists within a limited temperature range. These findings will lead to a more comprehensive understanding of H/D isotopic polymorphism, especially refreshing our common sense of its niche in polymorphism.

机译：几何H/D同位素效应（GIE）指的是化学键几何结构的变化，在氢键的情况下，这种变化尤其大。因此，氘化可以对氢键体系的体结构和相关性质产生影响。在此，我们报道了基于2,3,5,6-四氟对苯二甲酸单阴离子的两个O-H中心点O氢键有机盐中的GIE。氘化后，氢键的短O-中心-点-中心-点-O距离变长，增加高达0.024埃。晶体在室温附近表现出不同的结构，即H/D同位素多态性，阳离子的动态行为通过介电响应温度的向下移动来调节。此外，当考虑温度依赖性时，两种氘化化合物的同位素多态性仅在有限的温度范围内存在。这些发现将有助于更全面地理解H/D同位素多态性，尤其是刷新我们对其多态性生态位的常识。

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《Crystal growth & design》 |2021年第5期|共7页
作者
Miao Le-Ping; Liang Bei-Dou; Jin Tong; Han Xiang-Bin; Zhang Wen;
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Southeast Univ Jiangsu Key Lab Sci &

Applicat Mol Ferroelect Nanjing 211189 Peoples R China;

Southeast Univ Jiangsu Key Lab Sci &

Applicat Mol Ferroelect Nanjing 211189 Peoples R China;

Southeast Univ Jiangsu Key Lab Sci &

Applicat Mol Ferroelect Nanjing 211189 Peoples R China;

Southeast Univ Jiangsu Key Lab Sci &

Applicat Mol Ferroelect Nanjing 211189 Peoples R China;

Southeast Univ Jiangsu Key Lab Sci &

Applicat Mol Ferroelect Nanjing 211189 Peoples R China;

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正文语种 eng
中图分类晶体学;
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H/D Isotope Effects on the Short O-H center dot center dot center dot O Hydrogen Bond Geometries and Temperature-Dependent Polymorphism of Two Organic Salts Containing Hydrogen 2,3,5,6-Tetrafluorophthalate Monoanions

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