|
|
IV.D.7. (XVIII.A.2.) |
| Species | Name | Bond type | Bond Length (Å) | ||
|---|---|---|---|---|---|
| Experimental | Calculated | Difference | |||
| NaLi | lithium sodium | rLiNa | 2.889 | 2.463 | -0.426 |
| CaF | Calcuium monofluoride | rFCa | 1.967 | 2.325 | 0.358 |
| SF4 | Sulfur tetrafluoride | rSF | 1.545 | 1.759 | 0.214 |
| NaBr | Sodium Bromide | rNaBr | 2.502 | 2.318 | -0.184 |
| CaCl | calcium monochloride | rClCa | 2.437 | 2.594 | 0.157 |
| SeO | Selenium monoxide | rSeO | 1.639 | 1.775 | 0.136 |
| N2O3 | Dinitrogen trioxide | rNO | 1.142 | 1.273 | 0.131 |
| N2O3 | Dinitrogen trioxide | rNN | 1.864 | 1.739 | -0.125 |
| LiBr | Lithium Bromide | rLiBr | 2.170 | 2.051 | -0.120 |
| HN3 | hydrogen azide | rNH | 0.975 | 1.088 | 0.113 |
| SF4 | Sulfur tetrafluoride | rSF | 1.646 | 1.759 | 0.113 |
| CaH | Calcium monohydride | rHCa | 2.003 | 2.112 | 0.110 |
| N2O3 | Dinitrogen trioxide | rNO | 1.202 | 1.310 | 0.108 |
| C4H8O2 | Ethyl acetate | rCO | 1.345 | 1.448 | 0.103 |
| CaOH | Calcium monohydroxide | rOCa | 1.976 | 2.078 | 0.102 |
| CH2NN | diazomethane | rNN | 1.139 | 1.236 | 0.097 |
| N2H2 | trans-diazine | rNN | 1.252 | 1.346 | 0.094 |
| HN3 | hydrogen azide | rNN | 1.133 | 1.227 | 0.094 |
| FCN | Cyanogen fluoride | rCF | 1.262 | 1.351 | 0.089 |
| N2O3 | Dinitrogen trioxide | rNO | 1.217 | 1.304 | 0.087 |
| CH2O2 | Dioxirane | rCO | 1.388 | 1.473 | 0.085 |
| HCNO | fulminic acid | rNO | 1.199 | 1.284 | 0.085 |
| CaOH | Calcium monohydroxide | rHO | 0.930 | 1.014 | 0.084 |
| HOBr | Hypobromous acid | rOH | 0.961 | 1.041 | 0.080 |
| HOBr | Hypobromous acid | rBrO | 1.834 | 1.911 | 0.077 |
| HCNO | fulminic acid | rHC | 1.027 | 1.104 | 0.077 |
| HFCO | formyl fluoride | rCO | 1.181 | 1.256 | 0.075 |
| HCNO | fulminic acid | rCN | 1.168 | 1.242 | 0.074 |
| HCCF | Fluoroacetylene | rCF | 1.279 | 1.350 | 0.071 |
| N2H2 | trans-diazine | rNH | 1.028 | 1.100 | 0.071 |
| C2H5F | fluoroethane | rCC | 1.505 | 1.574 | 0.069 |
| CH2CHOH | ethenol | rOH | 0.960 | 1.029 | 0.069 |
| C3H8O2 | 1,3-Propanediol | rCO | 1.410 | 1.479 | 0.069 |
| NH2CN | cyanamide | rNH | 1.001 | 1.069 | 0.068 |
| C2HF3 | Trifluoroethylene | rCF | 1.316 | 1.383 | 0.067 |
| CH2CHCHO | Acrolein | rCC | 1.470 | 1.536 | 0.066 |
| S8 | Octasulfur | rSS | 2.059 | 2.123 | 0.064 |
| C3H2N2 | Malononitrile | rCC | 1.459 | 1.522 | 0.063 |
| C3H8O2 | 1,3-Propanediol | rCC | 1.514 | 1.572 | 0.058 |
| HCCCN | Cyanoacetylene | rCC | 1.376 | 1.434 | 0.058 |
| C4H8O2 | Ethyl acetate | rCO | 1.203 | 1.260 | 0.057 |
| SeS | Selenium monosulfide | rSSe | 2.037 | 2.093 | 0.056 |
| CH2CHOH | ethenol | rCO | 1.372 | 1.428 | 0.056 |
| FCN | Cyanogen fluoride | rCN | 1.159 | 1.213 | 0.054 |
| Se2 | Selenium diatomic | rSeSe | 2.166 | 2.220 | 0.054 |
| OCSe | Carbonyl selenide | rCO | 1.159 | 1.212 | 0.054 |
| CH3NC | methyl isocyanide | rCN | 1.426 | 1.479 | 0.053 |
| CH2CHCHO | Acrolein | rCO | 1.219 | 1.272 | 0.053 |
| C6H6 | Fulvene | rCC | 1.470 | 1.522 | 0.052 |
| C2H2F2 | Ethene, 1,2-difluoro-, (Z)- | rCF | 1.335 | 1.386 | 0.051 |
| HCCCN | Cyanoacetylene | rCN | 1.161 | 1.211 | 0.051 |