Абстрактный

Spectroscopic Investigations of 2-Aminopyridine

Y. Sheena Mary, C. Yohannan Panicker and Hema Tresa Varghesez

The vibrational wavenumbers of 2-aminopyridine were calculated using Gaussian03 software package at different levels and the fundamental modes are assigned. The predicted infrared and Raman activities are reported. The first hyperpolarizability is calculated and the 2-aminopyridine is an attractive object for future studies of non-linear optics. The calculated wavenumbers are in agreement with the reported experimental values.