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Issue 29, 2017
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Insights into the electron-donating and withdrawing effect of the functional groups on mechanochemical dehydrochlorination reactions

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Abstract

The effect of the withdrawing ability of –CF3 groups in a large and flexible bidentate ligand has been evaluated by monitoring the course of solid-state dehydrochlorination reactions. We demonstrate that the coordination bond formation does not occur by mechanochemical means from a second coordination sphere adduct. Quantum mechanical calculations have shown that frontier molecular orbital energy and net charges at N centers can justify the less reactive nature of the partially fluorinated ligand, corroborating the experimental results.

Graphical abstract: Insights into the electron-donating and withdrawing effect of the functional groups on mechanochemical dehydrochlorination reactions

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Publication details

The article was received on 10 May 2017, accepted on 23 Jun 2017 and first published on 23 Jun 2017


Article type: Paper
DOI: 10.1039/C7DT01710C
Citation: Dalton Trans., 2017,46, 9466-9471
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    Insights into the electron-donating and withdrawing effect of the functional groups on mechanochemical dehydrochlorination reactions

    F. Guo, Z. Wang, J. Zhang, A. Famulari, H. Li and J. Martí-Rujas, Dalton Trans., 2017, 46, 9466
    DOI: 10.1039/C7DT01710C

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