When Group Theory and Correlation Methods Become Essential in Vibrational Spectroscopy; Examples with Simple Fluorides

2016 ◽  
Vol 4 (4) ◽  
pp. 303-309
Author(s):  
M. D. S. Lekgoathi ◽  
L. D. Kock
Keyword(s):  
Group Theory ◽  
Vibrational Spectroscopy ◽  
Correlation Methods

The vibrational spectroscopy of the coordinated azide anion; a theoretical study

2016 ◽  
Vol 18 (1) ◽  
pp. 414-425 ◽  
Author(s):  
Eliano Diana ◽  
Karl Gatterer ◽  
Sidney F. A. Kettle
Keyword(s):  
Group Theory ◽  
Vibrational Spectroscopy ◽  
Vibrational Spectra ◽  
Theoretical Study ◽  
Model Systems ◽  
Related Model ◽  
Azide Anion ◽  
Charge Distributions

DFT has been used to model azide complexes and related model systems, in order to provide an understanding of azide vibrational spectra. The spectra are controlled by the charge distributions and the metal involved. This means that a group theory-based approach will seldom enable an interpretation, even though the azide groups are commonly vibrationally coupled.

Group Theory

2009 ◽  
Author(s):  
Pierre Ramond
Keyword(s):  
Group Theory
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