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97-29E

97-29E


By icmp_admin - Posted on 08 February 2012

UDC: 
532.59; 536.196
PACS: 
31.25.Qm, 36.40. c

Electron states and adiabatic potential of the hydrogen bond

I.V. Stasyuk
Yu.V. Sizonenko
R.Ya. Stetsiv

The properties of the hydrogen bond are investigated on the basis of the simplest object with hydrogen bond, the ionic complex $O-H-O$. The electron energy spectrum of the $O-H-O$ complex is obtained. The formation of the two-minima adiabatic proton potential as a function of the hydrogen bond length $R_{OO}$, $R_{OH}$ distance, electron number $N$ in complex is investigated. The electron density graphs and distribution of the electron charge along the complex axis are obtained. Also we investigate the change of the electron charge density and the occupancy of the atomic orbitals of the initial basis connected with proton shifts along the hydrogen bond.

Year: 
1997
Pages: 
29
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