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Issue 16, 2017
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Importance of C–H⋯π interactions in stabilizing the syn/anti arrangement of pendant alkoxy side arms in two manganese(IV) Schiff base complexes: exploration of catechol oxidase and phenoxazinone synthase like activities

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Abstract

Two new octahedral manganese(IV) complexes [Mn(HL1)(L1)(NCS)]n (1) and [Mn(HL2)2(OH)Cl] (2) [where H2L1 = 1-(5-hydroxy-3-oxapentyliminomethyl)-3-ethoxyphenol and H2L2 = 1-(5-hydroxy-3-oxapentyliminomethyl)-4-chlorophenol] have been prepared and characterized. Unconventional C–H⋯π(SCN) interactions play a key role in stabilizing the unexpected syn arrangement of the ligand pending arms in 1, whereas conventional C–H⋯π(phe) interactions favour the anti arrangements in 2. The energetic features of these interactions have been studied by DFT calculations and characterized using Bader's theory of atoms in molecules in both complexes. Both complexes exhibit catechol oxidase and phenoxazinone synthase like activities.

Graphical abstract: Importance of C–H⋯π interactions in stabilizing the syn/anti arrangement of pendant alkoxy side arms in two manganese(iv) Schiff base complexes: exploration of catechol oxidase and phenoxazinone synthase like activities

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Publication details

The article was received on 07 Mar 2017, accepted on 21 Jun 2017 and first published on 21 Jun 2017


Article type: Paper
DOI: 10.1039/C7NJ00766C
Citation: New J. Chem., 2017,41, 8053-8065
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    Importance of C–H⋯π interactions in stabilizing the syn/anti arrangement of pendant alkoxy side arms in two manganese(IV) Schiff base complexes: exploration of catechol oxidase and phenoxazinone synthase like activities

    N. Sarkar, K. Harms, A. Frontera and S. Chattopadhyay, New J. Chem., 2017, 41, 8053
    DOI: 10.1039/C7NJ00766C

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