表2
形成能源()和溶剂化自由能(不同介电常数的Pt(II)配合物。单位是焦每摩尔。
|
| Pt (II)复杂 |
形成能源() |
溶剂化自由能() |
| 介电常数(ε) |
5.0 |
20.0 |
61.0 |
5.0 |
20.0 |
61.0 |
|
| ()[葡文(H2O)4]2+ |
−628.6 |
−506.4 |
−479.6 |
−670.9 |
−858.8 |
−904.8 |
| ()[葡文(H2O)3.(哦)+ |
−1162.6 |
−807.3 |
−799.3 |
−226.0 |
−296.3 |
−314.3 |
| ()[葡文(H2O)2(哦)2] |
−1543.8 |
−1072.2 |
−1031.6 |
−58.6 |
−85.8 |
−93.7 |
| ()[葡文(H2O)(哦)3.]− |
−1752.3 |
−1250.5 |
−1206.5 |
−233.9 |
−312.6 |
−332.7 |
| ()[葡文(哦)4]2− |
−1830.1 |
−1386.9 |
−1348.0 |
−714.8 |
−920.7 |
−973.0 |
| ()[葡文(H2O)3.(CF3.所以3.)]+ |
−837.8 |
−529.8 |
−497.6 |
−268.7 |
−373.3 |
−402.6 |
| ()[葡文(H2O)2(CF3.所以3.)2] |
−957.5 |
−563.7 |
−533.6 |
−69.9 |
−97.9 |
−105.9 |
| ()[葡文(H2O)2(哦)(CF3.所以3.)] |
−1260.1 |
−837.8 |
−802.3 |
−71.6 |
−104.6 |
−112.6 |
|
|