期刊
CHEMPHYSCHEM
卷 16, 期 15, 页码 3151-3155出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/cphc.201500465
关键词
biomolecular clusters; density functional calculations; mass spectrometry; protonated pyridine-water clusters; proton transfer
资金
- Agence Nationale de la Recherche [ANR-10-BLAN-0411]
- [CNRS/IN2P3]
- Agence Nationale de la Recherche (ANR) [ANR-10-BLAN-0411] Funding Source: Agence Nationale de la Recherche (ANR)
Proton transfer (PT) from protonated pyridine to water molecules is observed after excitation of microhydrated protonated pyridine (Py) clusters PyH+(H2O)(n) (n=0-5) is induced by a single collision with an Ar atom at high incident velocity (95x10(3)ms(-1)). Besides the fragmentation channel associated with the evaporation of water molecules, the charged-fragment mass spectrum shows competition between the production of the PyH+ ion (or its corresponding charged fragments) and the production of H+(H2O) or H+(H2O)(2) ions. The increase in the production of protonated water fragments as a function of the number of H2O molecules in the parent cluster ion as well sd the observation of a stable H+(H2O)(2) fragment, even in the case of the dissociation of PyH+(H2O)(2), are evidence of the crucial role of PT in the relaxation process, even for a small number of solvating water molecules.
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