Quantum-chemical study of the optical properties of MgO surface hydroxy groups |
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| Authors: | E. P. Smirnov and A. A. Tsyganenko |
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| Affiliation: | (1) Institute of Physics, State University, Leningrad, USSR |
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| Abstract: | Cluster models of MgO surface OH groups have been studied by the semi-empirical CNDO method. The calculated stretching vibration frequencies of OH bonds and localized electron excitation energies on the OH-groups are shown to depend on the oxygen atom coordination.
                     OH- MgO.  ,   OH-  , OH-,  .
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