Mechanisms of the Elementary Processes of Electron Wavepacket Dynamics Coupled with Proton Transfer and Hydrogen‐Atom Migration in H 2 O+H 3 O + | Zendy

Ushiyama Hiroshi | Zendy; Takatsuka Kazuo | Zendy

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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).

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