Isotope effects on the  13 C NMR chemical shifts of 5‐substituted indoles: Evidence for electron density dependence on the hydrogen (deuterium) atom | Zendy

MoralesRíos M. S. | Zendy; Del Río R. E. | Zendy; JosephNathan P. | Zendy

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Isotope effects on the 13 C NMR chemical shifts of 5‐substituted indoles: Evidence for electron density dependence on the hydrogen (deuterium) atom

Author(s) -

MoralesRíos M. S.,

Del Río R. E.,

JosephNathan P.

Publication year - 1989

Publication title -

magnetic resonance in chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.483

H-Index - 72

eISSN - 1097-458X

pISSN - 0749-1581

DOI - 10.1002/mrc.1260271106

Subject(s) - chemistry , deuterium , electronegativity , kinetic isotope effect , chemical shift , deuterium nmr , hydrogen atom , hydrogen , isotope , substituent , carbon 13 nmr , atom (system on chip) , electron density , computational chemistry , electron , stereochemistry , organic chemistry , atomic physics , group (periodic table) , physics , quantum mechanics , computer science , embedded system

The dependence of the deuterium / hydrogen NMR isotope effects on 13 C chemical shift (DHIECS) values on the electron density at the hydrogen (deuterium) atom in a series of para ‐like substituted indoles with a partially deuterated NH site, measured as 0.83 M solutions in DMSO‐ d 6 , is established on the basis of a series of correlations relating the isotope shifts with Hammett‐type í parameters, 1 H(NH) chemical shifts, 15 N chemical shifts and group electronegativity. The sensitivity of the n Δ isotope effects appears to be connected closely with electron redistribution at the 5‐substituent of the carbon atom under consideration.

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