NDLI: Probing differences in binding of methylbenzylamine enantiomers to chiral cobalt(II) salen complexes

Content Provider	World Health Organization (WHO)-Global Index Medicus
Author	Van Doorslaer, Sabine Zamani, Sepideh Carter, Emma Murphy, Damien M.
Description	Author Affiliation: Zamani S ( Department of Physics, University of Antwerp, Universiteisplein 1, B-2610 Antwerp, Belgium.)
Abstract	In this work, we investigate the mode of chiral interactions between the asymmetric $Co^{II}$ salen complex, $(S,S)-N,N′-bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexane-diamine-Co^{II}$ ([Co(1)]), and single enantiomers of methylbenzylamine (MBA) using different continuous-wave and pulsed electron paramagnetic resonance techniques combined with density functional theory computations. While [Co(1)] displays a large affinity for binding a single MBA molecule, it has a much weaker affinity for binding a second MBA molecule. Subtle differences are detected in the EPR spectra of the homochiral (S,S-[Co(1)](S-MBA)) and heterochiral (S,S-[Co(1)](R-MBA)) adducts using low [Co(1)]:MBA ratios. Moreover at high concentrations of racemic MBA, a strong preference (80%) is observed for the formation of the bis-ligated heterochiral adduct $(S,S-[Co(1)](R-MBA)_{2})$ compared to the homochiral analogue (20% of $S,S-[Co(1)](S-MBA)_{2}).$ Differences in the $^{14}N$ hyperfine coupling from the diamine backbone in [Co(1)] were also evidenced by hyperfine sublevel correlation ( HYSCORE ), revealing magnetically equivalent N nuclei for the homochiral adducts and inequivalent N nuclei for the heterochiral adducts. Using DFT, these slight differences were reproduced, and explained based upon the different modes of alignment of the MBA molecule in the adduct. The current findings therefore reveal the appreciable enantiodiscrimination that occurs during the binding of MBA enantiomers to the chiral $Co^{II}$ salen complex.
ISSN	14779226
Issue Number	22
Journal	Dalton Trans.
Volume Number	41
e-ISSN	13645447
Language	English
Publisher	Royal Society of Chemistry
Publisher Date	2012-06-14
Publisher Place	Great Britain (UK)
Access Restriction	Subscribed
Subject Keyword	Chemistry
Content Type	Text
Resource Type	Article
Subject	Inorganic Chemistry

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