Generalized Swain–Schaad relations including tunneling and temperature dependence |
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Authors: | Zorka Smedarchina and Willem Siebrand |
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Institution: | Steacie Institute for Molecular Sciences, National Research Council of Canada, Ottawa, Canada K1A 0R6 |
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Abstract: | The Swain–Schaad relation, which relates the kinetic isotope effects of the three hydrogen isotopes, is extended by including tunneling and temperature dependence. The new version shows that the effect of tunneling on the Swain–Schaad exponent is opposite to that usually assumed and depends on the degree of assistance the tunneling receives from other vibrations. |
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