Issue 16, 2017

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

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

Supplementary files

Article information

Article type
Paper
Submitted
07 Mar 2017
Accepted
21 Jun 2017
First published
21 Jun 2017

New J. Chem., 2017,41, 8053-8065

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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