Model study of the primary H/D isotope effects on the NMR chemical shift in strong hydrogen-bonded systems

The model of the OHO (ODO) quasisymmetric fragment potential energy surface suggested earlier is used for calculation of the H/D substitution effect on the chemical shift (δH or δD) of the bridged nucleus as function of the O-O equilibrium distance RH e (2.40 ≤ RH e ≤ 2.60 Å) for systems with a strong H bond. The theoretical curves are compared with the experimental data. The non-monotonous ΔδH/D=δH-δD dependence on RH e and on δH as well as the negative and large positive (0.2 ppm) ΔδH/D values are interpreted. © 1992.

Авторы
Редакторы
-
Журнал
Издательство
-
Номер выпуска
3
Язык
Английский
Страницы
311-316
Статус
Опубликовано
Подразделение
-
Номер
-
Том
166
Год
1992
Организации
  • 1 Scientific-Education Centre, Peoples' Friendship University, Moscow, 117302, Russian Federation
Ключевые слова
-
Дата создания
19.10.2018
Дата изменения
19.10.2018
Постоянная ссылка
https://repository.rudn.ru/ru/records/article/record/1042/