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Deuterium isotope effects on nuclear shielding. Cross‐ring effects in rigid cyclic molecules
Author(s) -
MlinarićMajerski Kata,
Vinković Vladimir,
Chyall Leonard J.,
Gassman Paul G.
Publication year - 1993
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.1260311005
Subject(s) - chemistry , methylene , deuterium , kinetic isotope effect , molecule , ring (chemistry) , deuterium nmr , adamantane , nuclear magnetic resonance spectroscopy , computational chemistry , stereochemistry , nuclear magnetic resonance , medicinal chemistry , organic chemistry , atomic physics , physics
Deuterium isotope effects on 13 C NMR chemical shifts, ( 2 H/ 1 H) n Δ( 13 C), of 2‐methylene‐ d 2 ‐adamantane, 4‐methylene‐ d 2 ‐2‐adamantanone and 6‐methylene‐ d 2 ‐2‐adamantanone are presented. Long‐range effects ( 4 Δ, 5 Δ and 6 Δ) in a range from 5 to – 23 ppb were observed. The results for 5 Δ and 6 Δ are explained in terms of cross‐ring field effects resulting from the change of dipole due to deuterium substitution.