Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing†,Chemical Communications

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Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing†
Chemical Communications ( IF 4.3 ) Pub Date : 2018-08-10 00:00:00 , DOI: 10.1039/c8cc05859h
Lalita Negi _{1,

2,

3,

4} , Ashutosh Shrivastava _{1,

2,

3,

4} , Dinabandhu Das _{1,

2,

3,

4}

Affiliation

Switching from positive to negative axial thermal expansion in pure organic materials is reported for the first time. This rare phenomenon has been rationalized based on the packing of molecules in crystal structures and transverse thermal vibrations of atoms in the molecule. Unique packing of the molecules in the crystal structure contributes to the restricted movement of molecules along the c axis. Subsequently, contraction of molecular dimensions with increasing temperature, due to transverse vibrations of some atoms, assists with the switch from Positive Thermal Expansion (PTE) to Negative Thermal Expansion (NTE).

中文翻译：

在两种具有类似堆积的有机晶体化合物中，从正轴向热膨胀切换为负轴向热膨胀†

首次报道了在纯有机材料中从正轴向热膨胀转换为负轴向热膨胀。基于分子在晶体结构中的堆积和分子中原子的横向热振动，已经对这种罕见现象进行了合理化处理。分子在晶体结构中的独特堆积有助于分子沿c轴的受限移动。随后，由于一些原子的横向振动，随着温度升高，分子尺寸的收缩有助于从正热膨胀（PTE）转换为负热膨胀（NTE）。

更新日期：2018-08-10

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