Publication:
Theoretical and experimental IR spectra and assignments of 3-aminopyridine

Date
2001-05-28
Authors
Büyükmurat, Y.
Akyüz, Sevim
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Publisher
Elsevier
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Abstract

A normal mode analysis was carried out for 3-aminopyridine using force field refinement method together with ab-initio (4-31G∗) and semiempirical (AM1) quantum chemical calculations. The initial force field parameters of 3-aminopyridine were refined from the corresponding parameters of pyridine molecule. The results indicate a qualitative agreement in normal modes assignments, which are made upon quantum chemical calculations, force field refinement results and one made earlier upon experimental information.

Description
Keywords
Aminopyridine , Normal coordinate analysis , Force field
Citation