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卟啉衍生物的热学和电学性质及其与分子干涉测量法的相关性。

Thermal and electrical properties of porphyrin derivatives and their relevance for molecule interferometry.

作者信息

Deachapunya Sarayut, Stefanov André, Berninger Martin, Ulbricht Hendrik, Reiger Elisabeth, Doltsinis Nikos L, Arndt Markus

机构信息

Faculty of Physics, University of Vienna, Boltzmanngasse 5, A-1090 Vienna, Austria.

出版信息

J Chem Phys. 2007 Apr 28;126(16):164304. doi: 10.1063/1.2721563.

DOI:10.1063/1.2721563
PMID:17477599
Abstract

The authors present new measurements of thermal and electrical properties for two porphyrin derivatives. They determine their sublimation enthalpy from the temperature dependence of the effusive beam intensity. The authors study H2TPP and Fe(TPP)Cl in matter-wave interferometry. Both molecules have nearly equal de Broglie wavelengths but different internal characteristics: only Fe(TPP)Cl exhibits an electric dipole moment of about 2.7 D and the authors discuss its influence on the molecular interference pattern. The authors add an external electric force field to the interferometer and use it to measure the scalar polarizability. They compare their experimental values alpha(H2TPP)=105+/-4+/-6 A3 and alpha(Fe(TPP)Cl)=102+/-9+/-6 A3 to ab initio calculations and they discuss the influence of thermal excitations on the polarizability.

摘要

作者展示了两种卟啉衍生物的热学和电学性质的新测量结果。他们根据喷射束强度的温度依赖性确定了它们的升华焓。作者在物质波干涉测量中研究了H2TPP和Fe(TPP)Cl。这两种分子具有几乎相等的德布罗意波长,但内部特性不同:只有Fe(TPP)Cl表现出约2.7 D的电偶极矩,作者讨论了其对分子干涉图案的影响。作者在干涉仪中添加了外部电场力,并利用它来测量标量极化率。他们将实验值α(H2TPP)=105±4±6 A3和α(Fe(TPP)Cl)=102±9±6 A3与从头计算结果进行了比较,并讨论了热激发对极化率的影响。

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