A time-resolved powder diffraction study of in-situ photodimerization kinetics of 9-methylanthracene using a CCD area detector and parametric Rietveld refinement.

IF 1.9 3区化学

Acta Crystallographica Section B-structural Science Pub Date : 2012-08-01 Epub Date: 2012-07-17 DOI:10.1107/S0108768112027450

Ahmed F Mabied, Melanie Müller, Robert E Dinnebier, Shunsuke Nozawa, Manabu Hoshino, Ayana Tomita, Tokushi Sato, Shin-ichi Adachi

引用次数: 18

Abstract

The [4π + 4π] photodimerization process of the 9-substituted anthracene derivative crystalline 9-methylanthracene (9-MA) was investigated using time-resolved X-ray powder diffraction. The study was carried out in-situ using a CCD area detector. Sequential and parametric Rietveld refinement was applied for quantitative phase analysis. The results of traditional sequential Rietveld refinement showed that the evolution of the dimerization process can be described using the Johnson-Mehl-Avrami-Kolmogorov (JMAK) model. The parameters of the JMAK equation were obtained successfully by parametric Rietveld refinement and suggest that the reaction follows heterogeneous nucleation and one-dimensional growth with a decreasing nucleation rate.

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用CCD面积检测器和参数Rietveld精化研究9-甲基蒽原位光二聚化动力学的时间分辨粉末衍射。

采用时间分辨x射线粉末衍射研究了9-取代蒽衍生物结晶9-甲基蒽(9-MA)的[4π + 4π]光二聚化过程。该研究是利用CCD面积检测器进行的。定量相分析采用顺序和参数Rietveld细化。传统的序列Rietveld细化结果表明，二聚化过程的演变可以用Johnson-Mehl-Avrami-Kolmogorov (JMAK)模型来描述。通过参数Rietveld细化得到了JMAK方程的参数，表明反应遵循非均相成核和一维生长，成核速率逐渐降低。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Acta Crystallographica Section B-structural Science 化学-晶体学

自引率

5.30%

发文量

审稿时长

6-12 weeks

期刊介绍： Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials publishes scientific articles related to the structural science of compounds and materials in the widest sense. Knowledge of the arrangements of atoms, including their temporal variations and dependencies on temperature and pressure, is often the key to understanding physical and chemical phenomena and is crucial for the design of new materials and supramolecular devices. Acta Crystallographica B is the forum for the publication of such contributions. Scientific developments based on experimental studies as well as those based on theoretical approaches, including crystal-structure prediction, structure-property relations and the use of databases of crystal structures, are published.