Structure and Electronic Properties of Aminopyridino-1-4-η–2-methoxycyclohexa-1,3-diene Irontricarbonyl Complexes – A Semi Empirical PM3 Approach.

Herein we report the theoretical studies of aminopyridino-1-4-η-2-methoxycyclohexa-1,3-diene irontricarbonyl complexes. The theoretical ground state geometries, electronic, thermodynamic properties and vibrational frequencies were obtained using Semi-empirical PM3 method. The geometries, electronic states, thermodynamic properties and vibrational frequencies are reported and discussed.