Phosphinidene complexes M(CO)₅-PR: A density functional study on structures and electronic states

Keyphrases

• Electronic States 100%
• Phosphinidenes 100%
• Phosphinidene Complexes 100%
• Density Functional Study 100%
• Structure State 100%
• Singlet 66%
• Back-donation 66%
• Singlet State 66%
• Electrostatic Interaction 33%
• Transition Metal Complexes 33%
• Energy Analysis 33%
• Bond Energy 33%
• Cr-Mo 33%
• Dewar-Chatt-Duncanson Model 33%
• Orbital Interaction 33%
• Local Density Approximation 33%
• Bond Strength 33%
• Pauli Repulsion 33%
• Equilibrium Structure 33%
• Decomposition Scheme 33%
• Strong Acceptor 33%
• Donor-acceptor Complexes 33%
• P-orbital 33%
• Metal Fragments 33%
• Quantitative Estimates 33%
• Triplet Ground State 33%
• Strong Donor 33%

Chemistry

• Donor 100%
• Electronic State 100%
• Singlet State 100%
• Electrostatic Interaction 50%
• Ground State 50%
• Dissociation Energy 50%
• Bond Energy 50%
• Local-Density Approximation 50%
• Triplet Ground State 50%
• Coordination Compound 50%