Quantum Mechanical and Absorption Spectral Characterization of Rhodamine B in Ternary Solution

ABSTRACT

Geometrically optimized structure and quantum mechanical properties of rhodamine B were calculated. Electronic absorption spectra of rhodamine B were studied in a ternary solution of methanol and water. Kamlet–Taft empirical scales were utilized to characterize intermolecular interactions and their contributions to total spectral shifts.

KEYWORDS:

• Electronic absorption spectra
• quantum-mechanical properties
• rhodamine B
• ternary solution