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α-Oligofurans show a sizeable extent of π-conjugation as probed by Raman spectroscopy

机译:用拉曼光谱法检测,α-寡聚呋喃显示出很大程度的π-共轭

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摘要

A Raman spectroscopic analysis revealed that π-conjugation does not reach saturation at least up to the octamer in long α-oligofurans and spreads over 14-15 furan units in the polyfuran. Comparing DFT calculations with experimental results suggests that a considerable amount of HF exchange is required to reproduce computationally the observed conjugation.
机译:拉曼光谱分析显示,在长α-低聚呋喃中,π共轭至少在八聚体之前没有达到饱和,并且在聚呋喃中扩散到14-15个呋喃单元。将DFT计算与实验结果进行比较表明,需要大量的HF交换才能以计算方式重现观察到的共轭。

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  • 来源
    《Chemical Communications》 |2012年第53期|p.6732-6734|共3页
  • 作者单位

    Department of Physical Chemistry, University of Malaga,29071-Mdlaga, Spain;

    Department of Physical Chemistry, University of Malaga,29071-Mdlaga, Spain;

    Department of Organic Chemistry, Weizmann Institute of Science,Rehovot 76100, Israel;

    Department of Organic Chemistry, Weizmann Institute of Science,Rehovot 76100, Israel;

    Department of Organic Chemistry, Weizmann Institute of Science,Rehovot 76100, Israel;

    Department of Organic Chemistry, Weizmann Institute of Science,Rehovot 76100, Israel;

    Department of Organic Chemistry, Weizmann Institute of Science,Rehovot 76100, Israel;

    Department of Physical Chemistry, University of Malaga,29071-Mdlaga, Spain;

    Department of Physical Chemistry, University of Malaga,29071-Mdlaga, Spain;

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