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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