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DH and DG of elimination reactions of SPEEK1OH6.
| Products of Elimination Reaction of sPEEK1OH6 | DH of reaction | DG of reaction |
|---|---|---|
| sPEEK1OH6-P2 + H2SO4 | 23.3,18.8 | 11.5,7.1 |
| sPEEK1OH6-P3 + HSO4 | 25.5,21.6 | 13.8,9.9 |
| sPEEK1OH6-P4 + H2SO3 | −11.5,−8.2 | −24.7,−21.4 |
M062X/6–311+G(2d,2p) values in kcal/mol are followed by M062X/6–311+G(3df,2p)//M062x/6–311+G(2d,2p) values in kcal/mol, in italic. Values are relative to SPEEK1OH6.
