| Epicatechin | Catechin | ||||||
Gas phase | Aqueous phase | Gas phase | Aqueous phase | |||||
Atom |
|
|
|
|
|
|
|
|
C1 | −0.200 | 0.085 | −0.195 | 0.154 | −0.132 | 0.064 | −0.192 | 0.062 |
C2 | 0.172 | −0.020 | 0.174 | −0.150 | 0.256 | −0.012 | 0.178 | −0.008 |
C3 | −0.092 | 0.141 | −0.095 | −0.002 | −0.094 | 0.159 | −0.103 | 0.136 |
C4 | 0.175 | 0.025 | 0.167 | −0.166 | 0.174 | 0.014 | 0.166 | 0.012 |
C5 | −0.191 | −0.005 | −0.192 | 0.207 | −0.148 | 0.000 | −0.189 | 0.007 |
C6 | 0.168 | 0.055 | 0.168 | −0.170 | 0.195 | 0.061 | 0.168 | 0.054 |
H7 | 0.125 | 0.026 | 0.131 | −0.112 | 0.134 | 0.027 | 0.131 | 0.016 |
H8 | 0.127 | 0.025 | 0.132 | −0.115 | 0.134 | 0.024 | 0.132 | 0.017 |
H9 | −0.253 | −0.027 | −0.254 | 0.236 | −0.243 | −0.029 | −0.254 | −0.022 |
H10 | 0.143 | 0.026 | 0.142 | −0.128 | 0.144 | 0.029 | 0.142 | 0.021 |
H11 | 0.124 | 0.023 | 0.129 | −0.122 | 0.135 | 0.024 | 0.137 | 0.022 |
H12 | 0.027 | −0.003 | 0.025 | −0.030 | 0.033 | −0.002 | 0.030 | −0.001 |