| NMR |
nuclear magnetic resonance |
| DMSO-d6
|
deuterated dimethyl sulfoxide |
| TMS |
tetramethylsilane |
| J |
spin-spin coupling constant |
| TLC |
thin layer chromatography |
| HOMO |
highest occupied molecular orbital |
| LUMO |
lowest unoccupied molecular orbital |
| DFT |
density functional theory |
| MEP |
molecular electrostatic potential |
| mp |
melting point |
| Rf
|
retention factor |
| ESI |
electrospray ionization |
| HRMS |
high-resolution mass spectrometry |
| PCM |
polarizable continuum model |
| IP |
ionization potential |
| EA |
electron affinity |
|
electronegativity |
| η |
chemical hardness |
|
chemical softness |
| GIAO |
gauge-including atomic orbital |