Multiscale wavelet decomposition of time-resolved X-ray diffraction signals in cyclohexadiene

Al Osipov Vladimir; Kowalewski Markus; Mukamel Shaul

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Multiscale wavelet decomposition of time-resolved X-ray diffraction signals in cyclohexadiene

机译：Multiscale wavelet decomposition of time-resolved X-ray diffraction signals in cyclohexadiene

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We demonstrate how the wavelet transform, which is a powerful tool for compression, filtering, and scaling analysis of signals, may be used to separate large- and short-scale electron density features in X-ray diffraction patterns. Wavelets can isolate the electron density associated with delocalized bonds from the much stronger background of highly localized core electrons. The wavelet-processed signals clearly reveal the bond formation and breaking in the early steps of the photoinduced pericyclic ring opening reaction of 1,3-cyclohexadiene, which are not resolved in the bare signal.

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来源
《Proceedings of the National Academy of Sciences of the United States of America.》 |2018年第41期|10269-10274|共6页
作者
Al Osipov Vladimir; Kowalewski Markus; Mukamel Shaul;
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作者单位

Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA;

Stockholm Univ, AlbaNova Univ Ctr, Dept Phys, S-10691 Stockholm, Sweden;

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收录信息美国《科学引文索引》(SCI);美国《生物学医学文摘》(MEDLINE);美国《化学文摘》(CA);
原文格式 PDF
正文语种英语
中图分类自然科学总论;
关键词
chemical reaction movies; conical intersections; multiscale charge density analysis; ultrafast X-ray diffraction; wavelet transform;

Multiscale wavelet decomposition of time-resolved X-ray diffraction signals in cyclohexadiene

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