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Valence Localization at a Bio‐inspired Mixed‐Valent {Cu 2 S} 2+ Motif upon Solvation in Acetonitrile: Effect on Nitrous Oxide Reductase (N 2 Or) Activity
Author(s) -
Esmieu Charlène,
Orio Maylis,
Mangue Jordan,
Pécaut Jacques,
Ménage Stéphane,
Torelli Stéphane
Publication year - 2018
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201704737
Subject(s) - solvation , acetonitrile , valence (chemistry) , chemistry , delocalized electron , nitrous oxide reductase , crystallography , stereochemistry , inorganic chemistry , molecule , nitrogen , organic chemistry , denitrifying bacteria , denitrification
We demonstrate, based on experimental and theoretical evidence, that the isolated [2(CH 3 CN) 2 ] 2+ complex prepared in CH 3 CN and containing a mixed‐valent {Cu 2 II,I S} core evolves towards a new [2(CH 3 CN) 3 ] 2+ species upon solvation in CH 3 CN. Unlike its type III structural analogue [2(H 2 O)(OTf)] + active toward N 2 O reduction, this new type I compound is inactive. This outcome opens new perspectives for a rational for N 2 O activation using bio‐inspired Cu/S complexes, especially on the role of the valence localization/delocalization and the Cu−Cu bond on the reactivity.