Ligand Substitution Effect on Electronic Structure and Optical Properties of Nickel Porphyrazines

Keyphrases

• Optical Properties 100%
• Ligand Substitution 100%
• Electronic Structure Properties 100%
• Porphyrazine 100%
• Macrocycles 100%
• Substitution Effect 100%
• Charge Distribution 66%
• Visible Region 33%
• Electronic Properties 33%
• Density Functional Calculations 33%
• Infrared Absorption 33%
• Low Symmetry 33%
• Band Gap 33%
• Optical Absorption 33%
• Density of States 33%
• Property Distribution 33%
• Q-band 33%
• Charge Density 33%
• Molecular Orbital Calculations 33%
• Energy Band Diagram 33%
• Electronic Charge 33%
• Higher Symmetries 33%
• Absorption Feature 33%
• Dithiolene 33%
• Band Splitting 33%
• Tetraazaporphyrin 33%
• UV Region 33%
• Orbital Experiment 33%
• Electronic Structure Modification 33%

Chemistry

• Electronic State 100%
• Optical Property 100%
• Macrocycle 100%
• Charge Distribution 66%
• Electronic Property 33%
• Band Gap 33%
• Density of State 33%
• Charge Density 33%
• Point Group D4h 33%
• Point Group D2h 33%
• Point Group C2v 33%
• Molecular Orbital 33%
• Absorptivity 33%