Selected ATcT [1, 2] enthalpy of formation based on version 1.122r of the Thermochemical Network [3]
This version of ATcT results was generated from an expansion of version 1.122q [4, 5] to include a non-rigid rotor anharmonic oscillator (NRRAO) partition function for hydroxymethyl [6], as well as data on 42 additional species, some of which are related to soot formation mechanisms.| Species Name | Formula | Image | ΔfH°(0 K) | ΔfH°(298.15 K) | Uncertainty | Units | Relative Molecular Mass |
ATcT ID |
|---|---|---|---|---|---|---|---|---|
| Neon cation | Ne+ (g) | ![[Ne+]](../images/2016.png) | 2080.662 | 2080.769 | ± 0.000 | kJ/mol | 20.17915 ± 0.00060 | 14782-23-1*0 |
Representative Geometry of Ne+ (g)
Top contributors to the provenance of ΔfH° of Ne+ (g)
The 3 contributors listed below account for 99.9% of the provenance of ΔfH° of Ne+ (g).Please note: The list is limited to 20 most important contributors or, if less, a number sufficient to account for 90% of the provenance. The Reference acts as a further link to the relevant references and notes for the measurement. The Measured Quantity is normaly given in the original units; in cases where we have reinterpreted the original measurement, the listed value may differ from that given by the authors. The quoted uncertainty is the a priori uncertainty used as input when constructing the initial Thermochemical Network, and corresponds either to the value proposed by the original authors or to our estimate; if an additional multiplier is given in parentheses immediately after the prior uncertainty, it corresponds to the factor by which the prior uncertainty needed to be multiplied during the ATcT analysis in order to make that particular measurement consistent with the prevailing knowledge contained in the Thermochemical Network.
| Contribution (%) | TN ID | Reaction | Measured Quantity | Reference |
|---|---|---|---|---|
| 62.3 | 6746.1 | Ne (g) → Ne+ (g) | ΔrH°(0 K) = 173929.773 ± 0.040 cm-1 | Eikema 1994, Harth 1987 |
| 27.6 | 6746.2 | Ne (g) → Ne+ (g) | ΔrH°(0 K) = 173929.75 ± 0.06 cm-1 | Kaufman 1972, Saloman 2004 |
| 9.9 | 6746.3 | Ne (g) → Ne+ (g) | ΔrH°(0 K) = 173929.70 ± 0.1 cm-1 | Moore 1970, Minnhagen 1969, est unc |
Top 10 species with enthalpies of formation correlated to the ΔfH° of Ne+ (g)
The correlation coefficient is a number from -1 to 1, with 1 representing perfectly correlated species, -1 representing perfectly anti-correlated species, and 0 representing perfectly uncorrelated species.
| Correlation Coefficent (%) | Species Name | Formula | Image | ΔfH°(0 K) | ΔfH°(298.15 K) | Uncertainty | Units | Relative Molecular Mass | ATcT ID |
|---|---|---|---|---|---|---|---|---|---|
| 10.5 | Neon dication | [Ne]+2 (g) | ![[Ne++]](../images/2008.png) | 6032.988 | 6033.214 | ± 0.0041 | kJ/mol | 20.17860 ± 0.00060 | 14041-55-5*0 |
| 1.2 | Neon trication | [Ne]+3 (g) | ![[Ne+3]](../images/2009.png) | 12152.403 | 12152.403 | ± 0.033 | kJ/mol | 20.17805 ± 0.00060 | 14158-25-9*0 |
Most Influential reactions involving Ne+ (g)
Please note: The list, which is based on a hat (projection) matrix analysis, is limited to no more than 20 largest influences.| Influence Coefficient | TN ID | Reaction | Measured Quantity | Reference |
|---|---|---|---|---|
| 0.992 | 6747.1 | Ne+ (g) → [Ne]+2 (g) | ΔrH°(0 K) = 330388.6 ± 0.3 cm-1 | Persson 1971, Kramida 2006a |
| 0.623 | 6746.1 | Ne (g) → Ne+ (g) | ΔrH°(0 K) = 173929.773 ± 0.040 cm-1 | Eikema 1994, Harth 1987 |
| 0.277 | 6746.2 | Ne (g) → Ne+ (g) | ΔrH°(0 K) = 173929.75 ± 0.06 cm-1 | Kaufman 1972, Saloman 2004 |
| 0.099 | 6746.3 | Ne (g) → Ne+ (g) | ΔrH°(0 K) = 173929.70 ± 0.1 cm-1 | Moore 1970, Minnhagen 1969, est unc |
| 0.003 | 6747.2 | Ne+ (g) → [Ne]+2 (g) | ΔrH°(0 K) = 330391.0 ± 5 cm-1 | Moore 1970, Edlen 1969, Edlen 1964, est unc |
| 0.003 | 6747.3 | Ne+ (g) → [Ne]+2 (g) | ΔrH°(0 K) = 330391.2 ± 5 cm-1 | Biemont 1999, est unc |
| 0.000 | 6746.4 | Ne (g) → Ne+ (g) | ΔrH°(0 K) = 173925.5 ± 4.2 (×1.022) cm-1 | Biemont 1999 |
| 0.000 | 6746.5 | Ne (g) → Ne+ (g) | ΔrH°(0 K) = 21.56401 ± 0.00088 eV | Klopper 2010 |
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