Calculated molecular properties of triangular tribenzo and perfluoro-tribenzo trimercuronin macrocycles

Keyphrases

• Macrocycles 100%
• Molecular Properties 100%
• Solid State 100%
• Perfluoro 100%
• Electronic Structure 50%
• Absorption Spectra 50%
• Scalar 50%
• Spin-orbit Coupling 50%
• Structural Change 50%
• All-electron 50%
• Spin-orbit 50%
• Point Group 50%
• Double Points 50%
• Relativistic DFT Calculations 50%
• Experimental Values 50%
• Paratropic 50%
• Ring Current 50%
• Lewis Acids 50%
• Emission Processes 50%
• Large Values 50%
• Vibrational Spectra 50%
• Luminescent Properties 50%
• First Excited State 50%
• Multidentate 50%
• Stokes Shift 50%
• Trimeric 50%
• Dimeric Form 50%
• Mercury(II) 50%
• Ortho-phenylene 50%
• Coupled Emission 50%

Chemistry

• Structure 100%
• Density Functional Theory 100%
• Excited State 100%
• Electronic State 100%
• Absorption Spectrum 100%
• Luminiscence Type 100%
• Macrocycle 100%
• Point Group 100%
• Molecular Property 100%
• Lewis Acid 100%
• Vibrational Spectrum 100%
• Point Group D3d 100%