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对理解液体中分子动力学的贡献。

Contribution to understanding of the molecular dynamics in liquids.

作者信息

Jadzyn Jan, Czechowski Grzegorz, Déjardin Jean-Louis, Ginovska Margarita

机构信息

Institute of Molecular Physics, Polish Academy of Sciences, M. Smoluchowskiego 17, 60-179 Poznań, Poland.

出版信息

J Phys Chem A. 2007 Aug 30;111(34):8325-9. doi: 10.1021/jp0728252. Epub 2007 Aug 8.

Abstract

The dielectric relaxation spectroscopy is used for studying the orientational molecular dynamics in the isotropic (I) and nematic (N) phases of two mesogenic liquids composed of the molecules of similar structure and length, but of an essentially different polarity: n-heptylcyanobiphenyl, C(7)H(15)PhPhCN, 7CB (molecular dipole moment mu approximately 5D) and 4-(trans-4'-n-hexylcyclohexyl)isothiocyanatobenzene, C(6)H(13)CyHxPhNCS, 6CHBT (mu approximately 2.5D); advantageously, the temperatures of the I-N phase transition for the two compounds are very close to each other (T(NI) = 316.6 +/- 0.2 K). It is shown that regardless of the differences in polarity of 7CB and 6CHBT molecules and their abilities in dipolar aggregation, the values and temperature dependences of the relaxation time (corresponding to the rotational diffusion of the molecules around their short axis) are very close to each other, in both the isotropic and nematic phases of the liquids studied. Therefore, the data show that the dielectric relaxation processes occurring in dipolar liquids in the isotropic and nematic states lead through the rotational diffusion of individual molecules and the diffusion seems to be not influenced by the intermolecular interactions.

摘要

介电弛豫光谱法用于研究两种介晶液体在各向同性(I)相和向列(N)相中的取向分子动力学。这两种介晶液体由结构和长度相似但极性本质上不同的分子组成:正庚基氰基联苯,C(7)H(15)PhPhCN,7CB(分子偶极矩μ约为5D)和4-(反式-4'-正己基环己基)异硫氰酸苯酯,C(6)H(13)CyHxPhNCS,6CHBT(μ约为2.5D);有利的是,这两种化合物的I-N相变温度彼此非常接近(T(NI)=316.6±0.2K)。结果表明,无论7CB和6CHBT分子在极性上的差异以及它们在偶极聚集中的能力如何,在所研究液体的各向同性相和向列相中,弛豫时间(对应于分子绕其短轴的旋转扩散)的值及其温度依赖性都非常接近。因此,数据表明,在各向同性和向列态的偶极液体中发生的介电弛豫过程是通过单个分子的旋转扩散导致的,并且这种扩散似乎不受分子间相互作用的影响。

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