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

<div>Electric dipole moment, polarizability, anisotropy of polarization, first-order hyperpolarizability, and molar refractivity of Rubescin E at the RHF, B3LYP, and B3PW91 levels with the 6-311G (d, p) and 6-311++G (d, p) basis sets.</div>

Advances in Condensed Matter Physics

tab5

Table 5

Table 5: 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

Table 5 | 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 