Investigation on Structural, Electronic, Vibrational and Optical Properties of Molecular Clusters SbI3 and HgI2

Key Points

• Structural properties of SbI3 and HgI2 show notable differences, influencing their applications.
• Electronic properties analysis reveals that both clusters have distinct energy band structures.
• Vibrational properties were examined using various spectroscopic techniques, highlighting unique behaviors.
• Optical properties indicated potential uses for these molecular clusters in photonic applications.