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

Placeholder

Organizational Units

Program

Authors

Büyükmurat, Y.

Advisor

Language

Publisher:

Journal Title

Journal ISSN

Volume Title

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

Source:

Keywords:

Citation

Endorsement

Review

Supplemented By

Referenced By

0

Views

0

Downloads