Department of Chemistry, University of Ibadan, Ibadan, Nigeria
*Corresponding Author E-mail: ofakins@yahoo.com
Online published on 31 January, 2014.
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.
Geometry optimization, thermodynamic parameters, electronic properties, Semi empirical PM3, dipole moment
