Abstract
A novel conjugated alkylfluorene decorated phenothiazine carbaldehyde, 10-(9,9-diethyl-9H-fluoren-2-yl)-10H-phenothiazine-3-carbaldehyde (FPTZC) was synthesized and fully characterized by spectroscopic, elemental and single crystal XRD analyses. The geometry and electronic structures were arrived using B3LYP/6-31G++(d,p) calculations. The geometrical parameters, resulted from single crystal XRD, are in accord with the computed ones. FT-IR and NMR spectra of the title molecule have been investigated computationally. The theoretical NMR results are found to be similar with the experimental ones. The calculated vibrational frequencies of normal modes were matched well with the experimental values. These studies provide insights into their molecular geometry and electronic structures.
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