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Computational and Experimental Evidence of Emergent Equilibrium Isotope Effects in Anion Receptor Complexes

[Image: see text] The measurement of a deuterium equilibrium isotope effect (EIE) for the aryl CH···Cl(–) interaction of anion receptor 1H/1D is reported. Computations corroborate the results of solution measurements for a small, normal EIE in the full complex (K(a)(H)/K(a)(D) = 1.019 ± 0.010). Inte...

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Detalles Bibliográficos
Autores principales: Tresca, Blakely W., Brueckner, Alexander C., Haley, Michael M., Cheong, Paul H.-Y., Johnson, Darren W.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2017
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5364433/
https://www.ncbi.nlm.nih.gov/pubmed/28282134
http://dx.doi.org/10.1021/jacs.7b00612