|
|
IV.D.7. (XVIII.A.2.) |
| Species | Name | Bond type | Bond Length (Å) | ||
|---|---|---|---|---|---|
| Experimental | Calculated | Difference | |||
| HO2 | Hydroperoxy radical | rOH | 0.971 | 1.831 | 0.860 |
| Be2 | Beryllium diatomic | rBeBe | 2.460 | 2.028 | -0.432 |
| HO2 | Hydroperoxy radical | rOO | 1.331 | 0.971 | -0.359 |
| Al2 | Aluminum diatomic | rAlAl | 2.701 | 2.983 | 0.281 |
| Na2+ | sodium dimer cation | rNaNa | 3.540 | 3.709 | 0.169 |
| Mg2 | Magnesium diatomic | rMgMg | 3.891 | 4.059 | 0.168 |
| Si2 | Silicon diatomic | rSiSi | 2.246 | 2.099 | -0.147 |
| Ne2 | Neon dimer | rNeNe | 3.100 | 2.983 | -0.117 |
| AlN | Aluminum nitride | rNAl | 1.786 | 1.685 | -0.102 |
| ClF+ | clorine monofluoride cation | rFCl | 1.448 | 1.548 | 0.100 |
| Na2 | Sodium diatomic | rNaNa | 3.079 | 3.178 | 0.099 |
| FO2 | Dioxygen monofluoride | rFO | 1.649 | 1.554 | -0.095 |
| C2 | Carbon diatomic | rCC | 1.243 | 1.320 | 0.078 |
| CO | Carbon monoxide | rCO | 1.206 | 1.136 | -0.070 |
| CO | Carbon monoxide | rCO | 1.206 | 1.136 | -0.070 |
| Si2 | Silicon diatomic | rSiSi | 2.246 | 2.180 | -0.066 |
| ONNO | NO dimer | rNN | 2.236 | 2.171 | -0.065 |
| NaLi | lithium sodium | rLiNa | 2.889 | 2.951 | 0.062 |
| B2 | Boron diatomic | rBB | 1.590 | 1.529 | -0.061 |
| NaF | sodium fluoride | rNaF | 1.926 | 1.979 | 0.053 |
| S2Cl2 | Disulfur dichloride | rSS | 1.931 | 1.983 | 0.052 |
| HCF | Fluoromethylene | rCH | 1.138 | 1.087 | -0.051 |
| BN | boron nitride | rBN | 1.325 | 1.274 | -0.051 |