Article ID Journal Published Year Pages File Type
1235813 Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2012 6 Pages PDF
Abstract
► In the framework of density functional theory the equilibrium geometry of the ground electronic state of monoamine tetraphenylporphyrin with the complexon of ethylenediaminetetraacetic acid. ► 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. ► The observed and calculated band positions and intensities are well agreed.
Related Topics
Physical Sciences and Engineering Chemistry Analytical Chemistry
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