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Normal Coordinates Analysis for The M(NH3)2+4Complex Ions in D4hand TdSymmetries. Simplified Molecular Models

 

作者: R. Acevedo,   G. Díaz,  

 

期刊: Spectroscopy Letters  (Taylor Available online 1986)
卷期: Volume 19, issue 6  

页码: 653-668

 

ISSN:0038-7010

 

年代: 1986

 

DOI:10.1080/00387018608069270

 

出版商: Taylor & Francis Group

 

关键词: Molecular Vibrations;Force Constants;M(NH3)2+4;D4h;Td

 

数据来源: Taylor

 

摘要:

A normal coordinates analysis for the M(NH3)2+4complex ions in Tdsymmetry (M = Zn, Cd, Co) and in D4hsymmetry (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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