Electronic Structure, Spectroscopic (IR, Raman, UV-Vis, NMR), Optoelectronic, and NLO Properties Investigations of Rubescin E (C<sub>31</sub>H<sub>36</sub>O<sub>7</sub>) Molecule in Gas Phase and Chloroform Solution Using Ab Initio and DFT Methods

<div>Comparison of experimental and theoretical <sup>13</sup>C chemical shifts of Rubescin E calculated at the RHF, B3PW91, and B3LYP using the 6-311++G(d,p) basis set.</div>

Advances in Condensed Matter Physics

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Figure 7

Figure 7: Electronic Structure, Spectroscopic (IR, Raman, UV-Vis, NMR), Optoelectronic, and NLO Properties Investigations of Rubescin E (C<sub>31</sub>H<sub>36</sub>O<sub>7</sub>) Molecule in Gas Phase and Chloroform Solution Using Ab Initio and DFT Methods 

Figure 7 | Electronic Structure, Spectroscopic (IR, Raman, UV-Vis, NMR), Optoelectronic, and NLO Properties Investigations of Rubescin E (C31H36O7) Molecule in Gas Phase and Chloroform Solution Using Ab Initio and DFT Methods 