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Proton transfer of NH3--HCl catalyzed by only one molecule
- Source :
- Journal of Physical Chemistry A. Feb 3, 2005, Vol. 109 Issue 4, p629, 6 p.
- Publication Year :
- 2005
-
Abstract
- The proton transfer in NH3--HCl by only one molecule of catalyst was studied by using the MP2 method with the large 6-311++G(2d,2p) basis set. The results showed that the proton transfer occurred from HCl to NH3 when catalyst molecule A not only as a proton donor strongly donated the proton to the Cl atom, but as an acceptor strongly accepted the proton from the NH3 molecule in the cyclic H-bond structure.
Details
- Language :
- English
- ISSN :
- 10895639
- Volume :
- 109
- Issue :
- 4
- Database :
- Gale General OneFile
- Journal :
- Journal of Physical Chemistry A
- Publication Type :
- Academic Journal
- Accession number :
- edsgcl.135593894