|
|
IV.D.7. (XVIII.A.2.) |
| Species | Name | Bond type | Bond Length (Å) | ||
|---|---|---|---|---|---|
| Experimental | Calculated | Difference | |||
| Mg2 | Magnesium diatomic | rMgMg | 3.891 | 5.380 | 1.490 |
| HBO | Boron hydride oxide | rBO | 1.200 | 2.387 | 1.187 |
| H2ONH3 | Water Ammonia Dimer | rNH | 2.983 | 2.032 | -0.951 |
| C4H6O2 | 2,3-Butanedione | rCH | 1.114 | 1.546 | 0.432 |
| CH2ClCH2CH3 | Propane, 1-chloro- | rCH | 1.113 | 1.535 | 0.422 |
| CH2ClCH2CH3 | Propane, 1-chloro- | rCH | 1.113 | 1.533 | 0.420 |
| Ne2 | Neon dimer | rNeNe | 3.100 | 2.756 | -0.344 |
| Al2 | Aluminum diatomic | rAlAl | 2.701 | 3.033 | 0.331 |
| C4H8O2 | 1,3-Dioxane | rCH | 1.095 | 1.403 | 0.308 |
| Na2+ | sodium dimer cation | rNaNa | 3.540 | 3.722 | 0.182 |
| Al2 | Aluminum diatomic | rAlAl | 2.701 | 2.529 | -0.173 |
| B2 | Boron diatomic | rBB | 1.590 | 1.418 | -0.172 |
| NO3 | Nitrogen trioxide | rNO | 1.238 | 1.377 | 0.139 |
| Si2 | Silicon diatomic | rSiSi | 2.246 | 2.108 | -0.138 |
| ClF+ | clorine monofluoride cation | rFCl | 1.448 | 1.573 | 0.125 |
| Na2 | Sodium diatomic | rNaNa | 3.079 | 3.201 | 0.122 |
| N2O3 | Dinitrogen trioxide | rNN | 1.864 | 1.756 | -0.108 |
| C2 | Carbon diatomic | rCC | 1.243 | 1.328 | 0.085 |
| NaLi | lithium sodium | rLiNa | 2.889 | 2.967 | 0.078 |
| FO2 | Dioxygen monofluoride | rFO | 1.649 | 1.573 | -0.076 |
| AlN | Aluminum nitride | rNAl | 1.786 | 1.711 | -0.075 |
| CO | Carbon monoxide | rCO | 1.206 | 1.135 | -0.071 |
| CO | Carbon monoxide | rCO | 1.206 | 1.135 | -0.071 |
| AlN | Aluminum nitride | rNAl | 1.786 | 1.855 | 0.069 |
| BHCl2 | Borane, dichloro- | rBH | 1.130 | 1.198 | 0.068 |
| SO2F2 | Sulfuryl fluoride | rFS | 1.530 | 1.592 | 0.062 |
| NCl | nitrogen monochloride | rNCl | 1.611 | 1.672 | 0.062 |
| LiCl | lithium chloride | rLiCl | 2.021 | 2.081 | 0.061 |
| SiF2 | Silicon difluoride | rFSi | 1.590 | 1.650 | 0.060 |
| LiBr | Lithium Bromide | rLiBr | 2.170 | 2.230 | 0.059 |
| BrO | Bromine monoxide | rOBr | 1.718 | 1.776 | 0.059 |
| SiF | silicon monofluoride | rSiF | 1.604 | 1.663 | 0.058 |
| SiO+ | silicon monoxide cation | rOSi | 1.519 | 1.577 | 0.058 |
| BrF5 | bromine pentafluoride | rFBr | 1.689 | 1.746 | 0.057 |
| HCO | Formyl radical | rCH | 1.080 | 1.137 | 0.057 |
| Li2 | Lithium diatomic | rLiLi | 2.673 | 2.729 | 0.056 |
| PF+ | phosphorus monofluoride cation | rFP | 1.500 | 1.556 | 0.056 |
| Si2 | Silicon diatomic | rSiSi | 2.246 | 2.190 | -0.056 |
| SCl | sulfur monochloride | rSCl | 1.975 | 2.031 | 0.056 |
| SiH3F | monofluorosilane | rSiF | 1.595 | 1.649 | 0.055 |
| Cl2 | Chlorine diatomic | rClCl | 1.988 | 2.042 | 0.054 |
| PF | phosphorus monofluoride | rPF | 1.593 | 1.647 | 0.054 |
| SOCl2 | thionyl chloride | rSCl | 2.076 | 2.129 | 0.053 |
| HN3 | hydrogen azide | rNH | 0.975 | 1.028 | 0.053 |
| PCl | phosphorus chloride | rPCl | 2.018 | 2.069 | 0.052 |
| SO | Sulfur monoxide | rSO | 1.481 | 1.532 | 0.051 |
| AlF | Aluminum monofluoride | rAlF | 1.654 | 1.705 | 0.051 |
| CH3SSCH3 | Disulfide, dimethyl | rSS | 2.038 | 2.089 | 0.051 |
| S2 | Sulfur diatomic | rSS | 1.889 | 1.939 | 0.050 |
| BrCl | Bromine monochloride | rClBr | 2.136 | 2.186 | 0.050 |