Selected ATcT [1, 2] enthalpy of formation based on version 1.130 of the Thermochemical Network [3]

This version of ATcT results[4] was generated by additional expansion of version 1.128 [5,6] to include with the calculations provided in reference [4].

Platinum atom cation

Formula: Pt+ (g)

CAS RN: 20561-56-2

ATcT ID: 20561-56-2*0

SMILES: [Pt+]

InChI: InChI=1S/Pt/q+1

InChIKey: WTCRPVQWYABJEI-UHFFFAOYSA-N

Hills Formula: Pt1+

2D Image:

Aliases: Pt+; Platinum atom cation; Platinum atom ion (1+)

Relative Molecular Mass: 195.0775 ± 0.0020

Δ_fH°(0 K)	Δ_fH°(298.15 K)	Uncertainty	Units
1427.8	1428.3	± 1.7	kJ/mol

3D Image of Pt+ (g)

spin ON spin OFF

Top contributors to the provenance of Δ_fH° of Pt+ (g)

The 4 contributors listed below account for 95.6% of the provenance of Δ_fH° of Pt+ (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
63.1	8980.5	Pt (cr,l) → Pt (g)	Δ_rG°(1824 K) = 293.5 ± 2.1 kJ/mol	Plante 1970, 3rd Law
15.7	8980.4	Pt (cr,l) → Pt (g)	Δ_rG°(1994 K) = 269.6 ± 4.2 kJ/mol	Hampson 1961, 3rd Law, est unc
8.9	8980.1	Pt (cr,l) → Pt (g)	Δ_rG°(2237 K) = 231.1 ± 5.0 (×1.114) kJ/mol	Koch 1969, 3rd Law, est unc
7.7	8980.2	Pt (cr,l) → Pt (g)	Δ_rG°(1726 K) = 308.6 ± 6.0 kJ/mol	Dreger 1960, 3rd Law, est unc

Top 10 species with enthalpies of formation correlated to the Δ_fH° of Pt+ (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	Δ_fH°(0 K)	Δ_fH°(298.15 K)	Uncertainty	Units	Relative Molecular Mass	ATcT ID
100.0	Platinum	Pt (g)	563.4	564.3	± 1.7	kJ/mol	195.0780 ± 0.0020	7440-06-4*0
100.0	Platinum atom anion	Pt- (g)	358.4	358.9	± 1.7	kJ/mol	195.0785 ± 0.0020	40817-31-0*0
87.6	Platinum dimer	Pt2 (g)	823.5	822.5	± 3.8	kJ/mol	390.1560 ± 0.0040	12596-95-1*0
85.9	Platinum dimer anion	[Pt2]- (g)	640.3	639.8	± 3.9	kJ/mol	390.1565 ± 0.0040	153298-77-2*0
78.1	Platinum dimer cation	[Pt2]+ (g)	1661.0	1659.7	± 4.3	kJ/mol	390.1555 ± 0.0040	73146-08-4*0
18.2	Platinum hydride	PtH (g)	457.1	456.2	± 9.2	kJ/mol	196.0859 ± 0.0020	13966-55-7*0
7.8	Platinum hydride cation	[PtH]+ (g)	1336.	1355.	± 22.	kJ/mol	196.0854 ± 0.0020	87882-39-1*0

Most Influential reactions involving Pt+ (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
0.558	8981.1	Pt (g) → Pt+ (g)	Δ_rH°(0 K) = 72257.8 ± 0.8 cm-1	Jakubeh 2000
0.441	8981.2	Pt (g) → Pt+ (g)	Δ_rH°(0 K) = 72256.6 ± 0.9 cm-1	Marijnissen 1995
0.000	8981.3	Pt (g) → Pt+ (g)	Δ_rH°(0 K) = 72230 ± 50 cm-1	Blaise 1992

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 21^st 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. 1.130 of the Thermochemical Network. Argonne National Laboratory, Lemont, Illinois 2023; available at ATcT.anl.gov [DOI: 10.17038/CSE/1997229]
4		N. Genossar, P. B. Changala, B. Gans, J.-C. Loison, S. Hartweg, M.-A. Martin-Drumel, G. A. Garcia, J. F. Stanton, B. Ruscic, and J. H. Baraban Ring-Opening Dynamics of the Cyclopropyl Radical and Cation: the Transition State Nature of the Cyclopropyl Cation J. Am. Chem. Soc. 144, 18518-18525 (2022) [DOI: 10.1021/jacs.2c07740]
5		B. Ruscic and D. H. Bross Active Thermochemical Tables: The Thermophysical and Thermochemical Properties of Methyl, CH3, and Methylene, CH2, Corrected for Nonrigid Rotor and Anharmonic Oscillator Effects. Mol. Phys. e1969046 (2021) [DOI: 10.1080/00268976.2021.1969046]
6		J. H. Thorpe, J. L. Kilburn, D. Feller, P. B. Changala, D. H. Bross, B. Ruscic, and J. F. Stanton, Elaborated Thermochemical Treatment of HF, CO, N2, and H2O: Insight into HEAT and Its Extensions J. Chem. Phys. 155, 184109 (2021) [DOI: 10.1063/5.0069322]
7		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]
8		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]).
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.