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>1</sup>H chemical shifts of Rubescin E calculated at the RHF, B3PW91, and B3LYP using the 6-311++G(d,p) basis set in chloroform.</div>

Advances in Condensed Matter Physics

fig6

Figure 6

Figure 6: 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 6 | 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 