ANALYSIS OF ANGULAR OVERLAP PARAMETERS FOR THE LAOXEU3+ (X = CL, BR, I) SERIES
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1993
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Resumo |
The Angular Overlap Model (AOM) is applied to the LaOX:Eu3+(X = Cl, Br, I) series involving sigma, pi, delta and phi effects based on the experimental energy levels. The calculations are made in two cases. (1) Consider oxygen and halogen having the same bond-length. (2) Consider the real structure. In both cases, the results show that for sigma-bonding parameters, the values of e(sigma) decrease with increasing charge number of halogen, i.e. Cl- > Br- > I-, this indicates that the bonding ability also decreases with this order. The absolute values of each parameter are much larger than zero-therefore they all must be included in a practical analysis. In the second case, the values of the e(pi) parameter are negative, which means a ''back-bonding'' is formed, and this is profitable for the formation of sigma-bonding, usually referred to as ''synergic effect''. |
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Idioma(s) |
英语 |
Fonte |
WU ZJ;ZHANG SY.ANALYSIS OF ANGULAR OVERLAP PARAMETERS FOR THE LAOXEU3+ (X = CL, BR, I) SERIES,JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS,1993,54(7):817-819 |
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期刊论文 |