Computational insight into ¹⁰³Rh chemical shift-structure correlations in rhodium bis(phosphine) complexes

Keyphrases

• 1,2-Bis(4-pyridyl)ethane 16%
• 1,5-cyclooctadiene 16%
• 103Rh 100%
• B3LYP Level 16%
• BINAP 16%
• Bisphosphine 100%
• Bond Distance 16%
• Chelates 33%
• Chemical Shift 100%
• Complex Stability 16%
• Continuum Modeling 16%
• Counterion 16%
• Density Functional Calculations 16%
• Density Functional Theory 16%
• Electron-donating 16%
• Ethane 33%
• Gas Phase 33%
• Hammett Constant 16%
• Ion Pairs 16%
• Isodesmic 16%
• Ligand Exchange Reaction 16%
• Linear Relationship 16%
• M06 Functional 16%
• NMR Chemical Shifts 16%
• Observed Trends 16%
• Overall Trends 16%
• PBE0 16%
• PBE0 Functional 16%
• Phosphine Complexes 100%
• Rhodium 100%
• Ring Width 16%
• Structure Correlation 100%
• Structure Elucidation 16%
• Value Stability 16%

Chemistry

• Chemical Oxygen Demand 66%
• Chemical Shift 100%
• Density Functional Theory 66%
• DFT-B3LYP Calculation 33%
• GIAO 33%
• Ion Pair 33%
• NMR Spectroscopy 66%
• Rhodium 100%
• Structure Elucidation 33%