Nature of nonclassical bonds in closo-boranes: Nonlinear population analysis approach
The population analysis of higher order densities previously described by us and other investigators, has been applied to the description of 1,5-X2B3H3(X = N, CH, P, SiH, BH-) members of the closo-borane family. The calculated results, obtained at the SCF level, suggest the presence of three-center...
Guardado en:
| Autores principales: | , , , |
|---|---|
| Formato: | JOUR |
| Materias: | |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_01928651_v20_n10_p1085_Torre |
| Aporte de: |
| Sumario: | The population analysis of higher order densities previously described by us and other investigators, has been applied to the description of 1,5-X2B3H3(X = N, CH, P, SiH, BH-) members of the closo-borane family. The calculated results, obtained at the SCF level, suggest the presence of three-center nonclassical bonds in the majority of systems studied. The good agreement between our results and those obtained from more sophisticated methods make this procedure a suitable and simple tool for detecting and localizing three-center bonds. © 1999 John Wiley & Sons, Inc. |
|---|