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Primary 1 H/ 2 H isotope effect in the NMR chemical shift of HClO 4 salts of 1,8‐bis(dimethylamino)naphthalene derivatives
Author(s) -
Chmielewski Piotr,
Ozeryanskii Valery A.,
Sobczyk Lucjan,
Pozharskii Alexander F.
Publication year - 2007
Publication title -
journal of physical organic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.325
H-Index - 66
eISSN - 1099-1395
pISSN - 0894-3230
DOI - 10.1002/poc.1219
Subject(s) - chemistry , deuterium , kinetic isotope effect , naphthalene , protonation , proton , anharmonicity , hydrogen bond , medicinal chemistry , computational chemistry , molecule , organic chemistry , ion , atomic physics , physics , quantum mechanics
Abstract The primary 1 H/ 2 H isotope effect for a number of protonated naphthalene proton sponges (DMAN‐s) was measured and correlated with the δ ( 1 H) value and IR spectroscopic characteristics of the [NHN] + hydrogen bonds. A particular role of the unusual anharmonicity expressed in the isotopic ratio ISR ≫ $\sqrt 2 $ is discussed when the fundamental vibrational levels are close to the barrier top for proton/deuteron motion. Copyright © 2007 John Wiley & Sons, Ltd.