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Mechanisms of the Elementary Processes of Electron Wavepacket Dynamics Coupled with Proton Transfer and Hydrogen‐Atom Migration in H 2 O+H 3 O +
Author(s) -
Ushiyama Hiroshi,
Takatsuka Kazuo
Publication year - 2007
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200603553
Subject(s) - electron , proton , atomic physics , wave packet , physics , atom (system on chip) , hydrogen atom , charge (physics) , electron transfer , hydrogen , chemistry , nuclear physics , quantum mechanics , computer science , embedded system , group (periodic table)
The dynamics of the coupled transfer of electrons and protons were studied theoretically in the colliding system H 2 O+H 3 O + . In the ground‐state dynamics, the proton, tightly covered with electrons, carries a net charge of as much as about +0.4, and therefore about 0.6 electrons are carried back in the reverse direction through a different path (see scheme).