Summary
In the normal coordinate analysis, potential energy distribution is often used to assist in the assignment of infrared absorption bands to normal modes. Applying this method to a simplified (PO4C2)− model simulating the vibrational behaviour of the phosphate group in DNA, it is shown that normal modes may alter in nature by the influence of external chemical effectors. It is to be emphasized that this circumstance should be taken into consideration whenever the molecules under study are influenced by external interactions.
Zusammenfassung
Im Rahmen der Normalkoordinatenanalyse wird die Verteilung der potentiellen Energie oft als Hilfsmittel zur Zuordnung von Infrarotabsorptionsbanden zu Normalmoden verwendet. Die Anwendung dieser Methode auf ein vereinfachtes (PO4C2)−-Modell zur Simulierung des vibratorischen Verhaltens der Phosphatgruppe der DNA zeigt, daß die Art der Normalmoden durch externe chemische Effektoren beeinflußt werden kann. Es wird betont, daß dieser Umstand immer in Betracht gezogen werden sollte, wenn Moleküle unter dem Einfluß externer Effekte untersucht werden.
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Böhlig, H., Geidel, E. & Pohle, W. Aspects of characterizing the normal modes of a (PO4C2)− model by means of the potential energy distribution. Monatsh Chem 126, 411–416 (1995). https://doi.org/10.1007/BF00813203
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DOI: https://doi.org/10.1007/BF00813203