Normal Coordinates Analysis for The M(NH3)2+ 4 Complex Ions in D4h and Td Symmetries. Simplified Molecular Models |
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| Authors: | R Acevedo G Díaz |
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| Institution: | 1. Departamento de Química , Facultad de Ciencias Físicas y Matemáticas Universidad de Chile Tupper 2069 , P. O. Box 2777, Santiago , CHILE;2. Departamento de Ciencias Naturales , Universidad de Playa Ancha de Ciencias de la Educación Valparaíso. , P. O. Box 34-V, CHILE |
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| Abstract: | A normal coordinates analysis for the M(NH3)2+ 4 complex ions in Td symmetry (M = Zn, Cd, Co) and in D4h symmetry (M = Cu, Pd, Pt) has been undertaken on the basis of a General Valence Force Field (GVFF), using simplified molecular models. Throughout the course of the present work, we have relaxed the point mass approximation for the NH3-ligands in order to investigate, on a quantitative basis, some relevant ligand - framework coupling vibrations. The simplest molecular model able to accomplish this purpose is to treat the ammino group, in a linear ligator approximation. We show that these model calculations provide a satisfactory set of vibrational frequencies as well as consistent sets of force constants. |
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| Keywords: | Molecular Vibrations Force Constants M(NH3)2+ 4 D4h Td |
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