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Calculated O–H bond dissociation enthalpy (BDE) values (kJ/mol) of the phenol rings (X, X’, and Y) in methanol.
| Compound | Reference (H) |
Compound 1 (one OCH3) |
Compound 2 (two OCH3) |
Compound 3 (NO2) |
Compound 4 (Cl) |
Compound 5 (Br) |
||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Phenol ring | BDE | <BDE> | BDE | <BDE> | BDE | <BDE> | BDE | <BDE> | BDE | <BDE> | BDE | <BDE> |
| X | 345 | 345 | 328 | 329 | 311 | 311 | 379 | 377 | 342 | 342 | 342 | 342 |
| X’ | 345 | 329 | 311 | 375 | 342 | 341 | ||||||
| Y | 328 | 328 | 330 | 329 | 329 | 330 | 330 | 329 | 329 | 330 | 330 | |
