Reactions | Bond Dissociation Energya (Kcal∙mol−1) | Error Kcal∙mol−1 |
BDE (this study) |
| |
H-CHFCH2OH H-CHFCH2OH = H• + •CHFCH2OH −101.7 ± 0.1 52.1 −50.7 ± 0.09 | 103.1 ± 0.1 | ±0.2 |
CH2FC-HHOH CH2FC-HHOH = H• + CH2FC•HOH −101.7 ±0.1 52.1 −56.1 ± 0.1 | 97.7 ± 0.1 | ±0.2 |
CH2FCH2O-H CH2FCH2O-H = H• + CH2FCH2O• −101.7 ± 0.1 52.1 −45.0 ± 0.1 | 108.8 ± 0.1 | ±0.2 |
H-CH2CHFOH H-CH2CHFOH = H• + •CH2CHFOH −113.5 ± 0.2 52.1 −59.6 ± 0.1 | 106.0 ± 0.15 | ±0.3 |
CH3C-HFOH H-CH2CHFOH = H• + CH3C•FOH -113.5 ±0.2 52.1 -68. ±0.2 | 97.6 ± 0.2 | ±0.4 |
CH3CHFO-H CH3CHFO-H = H• + CH3CHFO• −113.5 ± 0.2 52.1 −58.8 ± 0.2 | 106.8 ± 0.2 | ±0.4 |
H-CHFCHFOH H-CHFCHFOH = H• + •CHFCHFOH −154.6 ± 0.6 52.1 −105.6 ± 0.2 | 101.1 ± 0.4 | ±0.8 |
CH2FC-HFOH CH2FC-HFOH = H• + CH2FC• FOH −154.6 ± 0.6 52.1 −104.1 ± 0.1 | 102.6 ± 0.35 | ±0.7 |
CH2FCHFO-H CH2FCHFO-H = H• + CH2FCHFO• −154.6 ± 0.6 52.1 −99.1 ± 0.1 | 107.6 ± 0.35 | ±0.7 |
CF2-HCH2OH CF2-HCH2OH = H• + • CF2CH2OH −155.3 ± 0.1 52.1 −102.3 ± 0.2 | 105.1 ± 0.15 | ±0.3 |
CF2HCH-HOH CF2HCHOH-H = H• + CF2HC•OH −155.3 ± 0.1 52.1 −102.4 ± 0.2 | 105.0 ± 0.15 | ±0.3 |
CF2HCH2O-H CF2HCH2O-H = H• + CF2HCH2O• −155.3 ± 0.1 52.1 −98.9 ± 0.2 | 108.5 ± 0.15 | ±0.3 |
H-CH2CF2OH H-CH2CF2OH = H• + •CH2CF2OH −174.5 ± 0.1 52.1 −119.4 ± 0.2 | 107.2 ± 0.15 | ±0.3 |
CH3CF2O-H CH3CF2O-H = H• CH3CF2O• −174.5 ± 0.1 52.1 −110.6 ± 0.1 | 116.0 ± 0.1 | ±0.2 |