Reactivity of polychlorinated biphenyls in nucleophilic and electrophilic substitutions

- Quantum chemical calculations were carried out for PCBs congeners.
- Calculated descriptors were used to explain the PCBs reactivity in SN and SE substitutions.
- Obtained data were used to estimate the PCBs reactivity in the SN reactions.
- Calculated descriptors were insufficient to explain the PCBs reactivity in the SE reactions.
- New neutralization methods of the large-capacity PCBs were discussed.