Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1235813 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2012 | 6 Pages |
Abstract
⺠In the framework of density functional theory the equilibrium geometry of the ground electronic state of monoamine tetraphenylporphyrin with the complexon of ethylenediaminetetraacetic acid. ⺠Electronic absorption spectrum of this molecule in ethanol solution was measured in the range of 300-600 nm and interpreted using the PCM/TDDFT method. ⺠The observed and calculated band positions and intensities are well agreed.
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Authors
R.R. Valiev, E.G. Ermolina, Yu.N. Kalugina, R.T. Kuznetsova, V.N. Cherepanov,