Journal of Natural Sciences Research
Density Functional Theory and Reactivity Parameters of Dimethylpyridino-1-4-?-Cyclohexa-1,3-diene iron tricarbonyl Complexes
Abstract
We present the density-functional theoretical results of structural, electronics, and Characterization of simulated dimethylpyridino-1-4-?-cyclohexa-1,3-diene iron tricarbonyl complexes using infra-red, Uv-visible and NMR spectroscopy. The chemical concepts treated include frontier orbitals (HOMO/LUMO), chemical potential, global chemical hardness as well as electrophilicity index.
Keywords: Electrophilicity index, Chemical hardness, vibrational analysis, ionization energy, electron affinity
To list your conference here. Please contact the administrator of this platform.
Paper submission email: JNSR@iiste.org
ISSN (Paper)2224-3186 ISSN (Online)2225-0921
Please add our address "contact@iiste.org" into your email contact list.
This journal follows ISO 9001 management standard and licensed under a Creative Commons Attribution 3.0 License.
Copyright © www.iiste.org