Title of article
New interpretation of proton and deuteron tunneling in 2′-methylacetophenone
Author/Authors
Fernلndez-Ramos، نويسنده , , Antonio and Siebrand، نويسنده , , Willem and Smedarchina، نويسنده , , Zorka، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2013
Pages
6
From page
61
To page
66
Abstract
The enol–keto transition rate constants in 2′-methylacetophenone observed by Grellmann et al. [3] are calculated from first principles. The results reinterpret the proposed mechanism and show that proton tunneling is preceded by dissociation of a substrate-solvent complex rather than by rotamer interconversion.
Journal title
Chemical Physics Letters
Serial Year
2013
Journal title
Chemical Physics Letters
Record number
1935618
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