Selected ATcT [1, 2] enthalpy of formation based on version 1.156 of the Thermochemical Network [3]

This version of ATcT results[3] was generated by additional expansion of version 1.148 to include species relevant to a recent study of the oxidation of ethylene [4] as well as new measurements that led to refining the thermochemistry of CF and SiF and their cations [5].

Nitrogen atom

Formula: N (g)
CAS RN: 17778-88-0
ATcT ID: 17778-88-0*0
SMILES: [N]
InChI: InChI=1S/N
InChIKey: QJGQUHMNIGDVPM-UHFFFAOYSA-N
Hills Formula: N1

2D Image:

[N]
Aliases: N; Nitrogen atom; Nitrogen; Atomic nitrogen; Nitrogen radical; Mononitrogen; N-atom
Relative Molecular Mass: 14.006740 ± 0.000070

   ΔfH°(0 K)   ΔfH°(298.15 K)UncertaintyUnits
470.583472.445± 0.022kJ/mol

3D Image of N (g)

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Top contributors to the provenance of ΔfH° of N (g)

The 19 contributors listed below account for 90.2% of the provenance of ΔfH° of N (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
24.51422.3 N2 (g) → N+ (g) N (g) ΔrH°(0 K) = 24.2880 ± 0.0009 eVTang 2005
19.81422.2 N2 (g) → N+ (g) N (g) ΔrH°(0 K) = 24.2883 ± 0.0010 eVTang 2005
19.81422.1 N2 (g) → N+ (g) N (g) ΔrH°(0 K) = 24.2888 ± 0.0010 eVTang 2005
8.21399.11 N2 (g) → 2 N (g) ΔrH°(0 K) = 941.14 ± 0.15 kJ/molThorpe 2021
6.31423.2 [N2]+ (g) → N+ (g) N (g) ΔrH°(0 K) = 70248 ± 12 (×1.189) cm-1Hertzler 1992, Douglas 1952, Hertzler 1990, Janin 1957, est unc
3.91406.8 N2 (g) → 2 N (g, doublet) ΔrH°(0 K) = 117127.5 ± 18.0 cm-1Roncin 1984, note N2
2.51406.7 N2 (g) → 2 N (g, doublet) ΔrH°(0 K) = 117105.5 ± 22.7 cm-1Roncin 1984, note N2
0.71396.2 N2 (g) → 2 N (g) ΔrH°(0 K) = 78716 ± 40 (×1.022) cm-1Carroll 1965, note N2
0.51399.7 N2 (g) → 2 N (g) ΔrH°(0 K) = 941.56 ± 0.56 kJ/molHarding 2008
0.51396.1 N2 (g) → 2 N (g) ΔrH°(0 K) = 78715 ± 50 cm-1Buttenbender 1935, Gaydon 1968, note N2, as quoted by CODATA Key Vals
0.41398.4 N2 (g) → 2 N (g) ΔrH°(0 K) = 225.01 ± 0.15 kcal/molKarton 2007a, Karton 2006, Karton 2011
0.31399.4 N2 (g) → 2 N (g) ΔrH°(0 K) = 941.61 ± 0.70 kJ/molBomble 2006
0.31399.5 N2 (g) → 2 N (g) ΔrH°(0 K) = 941.74 ± 0.70 kJ/molHarding 2008
0.31399.6 N2 (g) → 2 N (g) ΔrH°(0 K) = 941.09 ± 0.74 kJ/molHarding 2008
0.31399.3 N2 (g) → 2 N (g) ΔrH°(0 K) = 941.14 ± 0.75 kJ/molBomble 2006
0.31399.1 N2 (g) → 2 N (g) ΔrH°(0 K) = 941.07 ± 0.75 kJ/molTajti 2004, est unc
0.21399.2 N2 (g) → 2 N (g) ΔrH°(0 K) = 941.78 ± 0.80 kJ/molBomble 2006
0.21400.1 N2 (g) → 2 N (g) ΔrH°(0 K) = 225.0 ± 0.2 kcal/molFeller 2006a
0.21400.6 N2 (g) → 2 N (g) ΔrH°(0 K) = 224.99 ± 0.20 kcal/molFeller 2014

Top 10 species with enthalpies of formation correlated to the ΔfH° of N (g)

Please note: The correlation coefficients are obtained by renormalizing the off-diagonal elements of the covariance matrix by the corresponding variances.
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
100.0 Nitrogen atomN (g, quartet)[N]470.583472.445± 0.022kJ/mol14.006740 ±
0.000070
17778-88-0*1
100.0 Nitrogen atomN (g, doublet)[N]700.558702.461± 0.022kJ/mol14.006740 ±
0.000070
17778-88-0*2
99.9 Nitrogen atom cationN+ (g)[N+]1872.9111875.692± 0.022kJ/mol14.006191 ±
0.000070
14158-23-7*0
93.0 Nitrogen atom dication[N]+2 (g)[N+2]4728.9974731.826± 0.024kJ/mol14.005643 ±
0.000070
17439-59-7*0
30.9 Nitric oxideNO (g)[N]=O90.62891.132± 0.065kJ/mol30.00614 ±
0.00031
10102-43-9*0
30.9 Nitrosyl ion[NO]+ (g)N#[O+]984.496984.490± 0.065kJ/mol30.00559 ±
0.00031
14452-93-8*0
30.9 Nitrogen dioxideONO (g)O=[N]=O36.86734.060± 0.065kJ/mol46.00554 ±
0.00060
10102-44-0*0
30.0 Dinitrogen tetraoxideO2NNO2 (g)O=N(=O)N(=O)=O20.1710.88± 0.14kJ/mol92.0111 ±
0.0012
10544-72-6*0
29.9 Nitrosyl chlorideClNO (g)ClN=O54.46252.560± 0.067kJ/mol65.45884 ±
0.00095
2696-92-6*0
29.1 DioxohydrazineONNO (g, cis)O=NN=O172.91171.15± 0.14kJ/mol60.01228 ±
0.00062
16824-89-8*2

Most Influential reactions involving N (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
1.0001424.1 N (g, quartet) → N (g) ΔrH°(0 K) = 0 ± 0 cm-1triv, NIST Atomic Web
0.6581410.1 N (g) → N+ (g) ΔrH°(0 K) = 117225.4 ± 0.1 cm-1McConkey 1968, Moore 1970
0.5541421.1 [N]-3 (g) → N (g) ΔrH°(0 K) = -14.625 ± 0.061 eVRuscic G4
0.3972153.6 NF (g, triplet) → N (g) F (g) ΔrH°(0 K) = 75.35 ± 0.3 kcal/molFeller 2008
0.3542680.14 CH2NH (g) → C (g) + 3 H (g) N (g) ΔrH°(0 K) = 1733.46 ± 0.56 kJ/molGratzfeld 2017
0.3321419.4 [N]-2 (g) → N (g) ΔrH°(0 K) = -6.106 ± 0.050 eVRuscic W1RO
0.2662120.5 FNO (g) → F (g) N (g) O (g) ΔrH°(0 K) = 210.16 ± 0.35 kcal/molKarton 2017
0.2612728.9 CNH2 (g) → C (g) N (g) + 2 H (g) ΔrH°(0 K) = 296.69 ± 0.50 kcal/molPuzzarini 2010, est unc
0.2571469.1 NO (g) → N (g) O (g) ΔrH°(0 K) = 52400 ± 10 cm-1Callear 1970
0.2571469.2 NO (g) → N (g) O (g) ΔrH°(0 K) = 52400 ± 10 cm-1Dingle 1975
0.2507813.5 [CCCN]+ (g) → 3 C (g) N (g) ΔrH°(0 K) = 175.96 ± 1.50 kcal/molRuscic W1RO
0.2492141.6 NF2 (g) → N (g) + 2 F (g) ΔrH°(0 K) = 140.92 ± 0.3 kcal/molFeller 2008
0.2451422.3 N2 (g) → N+ (g) N (g) ΔrH°(0 K) = 24.2880 ± 0.0009 eVTang 2005
0.2371905.9 [NH2O]- (g) → N (g) O (g) + 2 H (g) ΔrH°(0 K) = 263.07 ± 0.80 kcal/molDixon 2006
0.2365893.6 [CNN]+ (g) → 2 N (g) C (g) ΔrH°(0 K) = 2.64 ± 1.50 kcal/molRuscic W1RO
0.2231419.1 [N]-2 (g) → N (g) ΔrH°(0 K) = -6.191 ± 0.061 eVRuscic G4
0.2197813.4 [CCCN]+ (g) → 3 C (g) N (g) ΔrH°(0 K) = 175.55 ± 1.60 kcal/molRuscic CBS-n
0.2197813.2 [CCCN]+ (g) → 3 C (g) N (g) ΔrH°(0 K) = 175.95 ± 1.60 kcal/molRuscic G4
0.2191817.11 HNNH (g, cis) → 2 N (g) + 2 H (g) ΔrH°(0 K) = 273.69 ± 0.30 kcal/molKarton 2011
0.2171411.6 N- (g) → N (g) ΔrH°(0 K) = -0.151 ± 0.050 eVEA(N)


References
1   B. Ruscic, R. E. Pinzon, M. L. Morton, G. von Laszewski, S. Bittner, S. G. Nijsure, K. A. Amin, M. Minkoff, and A. F. Wagner,
Introduction to Active Thermochemical Tables: Several "Key" Enthalpies of Formation Revisited.
J. Phys. Chem. A 108, 9979-9997 (2004) [DOI: 10.1021/jp047912y]
2   B. Ruscic, R. E. Pinzon, G. von Laszewski, D. Kodeboyina, A. Burcat, D. Leahy, D. Montoya, and A. F. Wagner,
Active Thermochemical Tables: Thermochemistry for the 21st Century.
J. Phys. Conf. Ser. 16, 561-570 (2005) [DOI: 10.1088/1742-6596/16/1/078]
3   B. Ruscic and D. H. Bross,
Active Thermochemical Tables (ATcT) values based on ver. 1.156 of the Thermochemical Network (2024); available at ATcT.anl.gov
4   N. A. Seifert, B. Ruscic, R. Sivaramakrishnan, and K. Prozument,
The C2H4O Isomers in the Oxidation of Ethylene
J. Mol. Spectrosc. 398, 111847/1-8 (2023) [DOI: 10.1016/j.jms.2023.111847]
5   U. Jacovella, B. Ruscic, N. L. Chen, H.-L. Le, S. Boyé-Péronne, S. Hartweg, M. Roy-Chowdhury, G. A. Garcia, J.-C. Loison, and B. Gans,
Refining Thermochemical Properties of CF, SiF, and Their Cations by Combining Photoelectron Spectroscopy, Quantum Chemical Calculations, and the Active Thermochemical Tables Approach
Phys. Chem. Chem. Phys. 25, 30838-30847 (2023) [DOI: 10.1039/D3CP04244H]
6   B. Ruscic,
Uncertainty Quantification in Thermochemistry, Benchmarking Electronic Structure Computations, and Active Thermochemical Tables.
Int. J. Quantum Chem. 114, 1097-1101 (2014) [DOI: 10.1002/qua.24605]
7   B. Ruscic and D. H. Bross,
Thermochemistry
Computer Aided Chem. Eng. 45, 3-114 (2019) [DOI: 10.1016/B978-0-444-64087-1.00001-2]

Formula
The aggregate state is given in parentheses following the formula, such as: g - gas-phase, cr - crystal, l - liquid, etc.

Uncertainties
The listed uncertainties correspond to estimated 95% confidence limits, as customary in thermochemistry (see, for example, Ruscic [6] and Ruscic and Bross[7]).
Note that an uncertainty of ± 0.000 kJ/mol indicates that the estimated uncertainty is < ± 0.0005 kJ/mol.

Website Functionality Credits
The reorganization of the website was developed and implemented by David H. Bross (ANL).
The find function is based on the complete Species Dictionary entries for the appropriate version of the ATcT TN.
The molecule images are rendered by Indigo-depict.
The XYZ renderings are based on Jmol: an open-source Java viewer for chemical structures in 3D. http://www.jmol.org/.

Acknowledgement
This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences under Contract No. DE-AC02-06CH11357.