Journal :   Asian Journal of Research in Chemistry

Volume No. :   6

Issue No. :  11

Year :  2013

Pages :   1034-1039

ISSN Print :  0974-4169

ISSN Online :  0974-4150


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



Address:   Adejoro I.A., Odiaka T.I. and Akinyele O.F.
Department of Chemistry, University of Ibadan, Ibadan Nigeria
*Corresponding Author
DOI No:

ABSTRACT:
Herein we report the theoretical studies of aminopyridino-1-4-?-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.
KEYWORDS:
Geometry optimization, thermodynamic parameters, electronic properties, Semi empirical PM3, dipole moment.
Cite:
Adejoro I.A., Odiaka T.I., Akinyele O.F.. Structure and Electronic Properties of Aminopyridino-1-4-η–2-methoxycyclohexa-1,3-diene Irontricarbonyl Complexes – A Semi Empirical PM3 Approach. Asian J. Research Chem. 6(11): November 2013; Page 1034-1039.
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