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Nickelocene

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Gas phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: José A. Martinho Simões

Quantity Value Units Method Reference Comment
Deltafgas357.0 ± 2.3kJ/molReviewMartinho Simões 
Deltafgas346.1 ± 4.5kJ/molReviewMartinho SimõesSelected data.
Deltafgas335.2 ± 2.9kJ/molReviewMartinho Simões 
Deltafgas333.5 ± 3.1kJ/molReviewMartinho Simões 

Condensed phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
MS - José A. Martinho Simões
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafsolid285.5 ± 2.2kJ/molReviewMartinho SimõesMS
Deltafsolid274.6 ± 4.4kJ/molReviewMartinho SimõesSelected data.; MS
Deltafsolid263.7 ± 2.8kJ/molReviewMartinho SimõesMS
Deltafsolid262. ± 3.kJ/molCC-SBChipperfield, Sneyd, et al., 1979Value corrected based on a set of ancillary data by J.A. Martinho Simões; The enthalpy of combustion is not reported in Chipperfield, Sneyd, et al., 1979.; MS
Quantity Value Units Method Reference Comment
Deltacsolid-5878.5 ± 4.2kJ/molCC-SBTel'noi and Rabinovich, 1977MS
Deltacsolid-5889.4 ± 1.7kJ/molCC-SBTel'noi, Kirynov, et al., 1975Please also see Pedley and Rylance, 1977.; MS
Deltacsolid-5627.9 ± 2.5kJ/molCC-SBWilkinson, Pauson, et al., 1954Please also see Cox and Pilcher, 1970.; MS
Quantity Value Units Method Reference Comment
solid,1 bar253.1J/mol*KN/ARabinovich, Nistratov, et al., 1978DH
solid,1 bar253.0J/mol*KN/ARabinovich, Nistratov, et al., 1975DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
205.4298.15Rabinovich, Nistratov, et al., 1978T = 5 to 300 K.; DH
171.298.Azokpota, Calvarin, et al., 1976T = 130 to 300 K.; DH
205.6298.15Rabinovich, Nistratov, et al., 1975T = 5 to 298.15 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Mass spectrum (electron ionization), References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
MS - José A. Martinho Simões
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltasub71.5 ± 0.6kJ/molCC-SBTorres-Gómez, Barreiro-Rodríguez, et al., 1988Other values for the enthalpy of sublimation have been reported: 72.4 ± 1.3 kJ/mol Turnbull, 1967 and 70.2 ± 1.5 kJ/mol Baev, Barkatin, et al., 1984.; MS
Deltasub70.2 ± 1.5kJ/molN/ABaev, Barkatin, et al., 1984, 2AC
Deltasub72.4 ± 1.3kJ/molMMPilcher and Skinner, 1983Based on data from 353. - 419. K. See also Tel'noi, Kirynov, et al., 1975 and Turnbull, 1967, 2.; AC

Temperature of phase transition

Ttrs (K) Initial Phase Final Phase Reference Comment
170. - 240.crystaline, IIcrystaline, IPommier and Azokpota, 1976S = 5.2 J/mol*K; DH
170. - 240.crystaline, IIcrystaline, IAzokpota, Calvarin, et al., 1976S = 5.3 J/mol*K No peak is observed on heat capacity curve, but a deviation from normal variation occurs between 170 to 240 K.; DH

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.182100. - 190.crystaline, IIcrystaline, IRabinovich, Nistratov, et al., 1978Lambda transition over the temperature range 100 to 190 K.; DH
0.182100. - 190.crystaline, IIcrystaline, IRabinovich, Nistratov, et al., 1975Lambda transition.; DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
1.34100. - 190.crystaline, IIcrystaline, IRabinovich, Nistratov, et al., 1978Lambda; DH
1.32100. - 190.crystaline, IIcrystaline, IRabinovich, Nistratov, et al., 1975Lambda; DH

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-IW-3958
NIST MS number 236456

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Martinho Simões
Martinho Simões, J.A., Private communication (see http://webbook.nist.gov/chemistry/om/). [all data]

Chipperfield, Sneyd, et al., 1979
Chipperfield, J.R.; Sneyd, J.C.R.; Webster, D.E., J. Organometal. Chem., 1979, 178, 177. [all data]

Tel'noi and Rabinovich, 1977
Tel'noi, V.I.; Rabinovich, I.B., Russ. Chem. Rev., 1977, 46, 689. [all data]

Tel'noi, Kirynov, et al., 1975
Tel'noi, V.I.; Kirynov, K.V.; Ermolaev, V.I.; Rabinovich, I.B., Dokl. Akad. Nauk SSSR, 1975, 220, 1088. [all data]

Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J., Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brigton, 1977. [all data]

Wilkinson, Pauson, et al., 1954
Wilkinson, G.; Pauson, P.L.; Cotton, F.A., J. Am. Chem. Soc., 1954, 76, 1970. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds in Academic Press, New York, 1970. [all data]

Rabinovich, Nistratov, et al., 1978
Rabinovich, I.B.; Nistratov, V.P.; Sheiman, M.S.; Burchalova, G.V., Heat capacities of dicyclopentadienyl compounds of vanadium, chromium, manganese, cobalt, and nickel, J. Chem. Thermodynam., 1978, 10, 523-536. [all data]

Rabinovich, Nistratov, et al., 1975
Rabinovich, I.B.; Nistratov, V.P.; Sheiman, M.S.; Burchalova, G.V., Heat capacity and transitions in solid state. Dicyclopentadienyl compounds of transition elements,Quatrieme Conference International de Thermodynamique Chimique II, Thermophysiques (capacites thermiques) pp., 1975, 69-76, 136. [all data]

Azokpota, Calvarin, et al., 1976
Azokpota, C.; Calvarin, G.; Pommier, C., Heat capacity of molecular compounds with order-disorder transition: nickelocene, Ni(C5H5)2, and ferrocene, Fe(C5H5)2, J. Chem. Thermodynam., 1976, 8, 283-287. [all data]

Torres-Gómez, Barreiro-Rodríguez, et al., 1988
Torres-Gómez, L.A.; Barreiro-Rodríguez, G.; Méndez- Ruíz, F., Thermochim. Acta, 1988, 124, 179. [all data]

Turnbull, 1967
Turnbull, A.G., Austral. J. Chem., 1967, 20, 2757. [all data]

Baev, Barkatin, et al., 1984
Baev, A.K.; Barkatin, A.A.; Dargileva, L.M., Vesti Akad. Navuk BSSR, Ser. Khim. Navuk, 1984, 60.. [all data]

Baev, Barkatin, et al., 1984, 2
Baev, A.K.; Barkatin, A.A.; Dyagileva, L.M., Vestsi Akad. Navuk BSSR Ser. Khim. Navuk, 1984, 60. [all data]

Pilcher and Skinner, 1983
Pilcher, G.; Skinner, H.A., Thermochemistry of organometallic compounds, 1983, 43-90, https://doi.org/10.1002/9780470771686.ch2 . [all data]

Turnbull, 1967, 2
Turnbull, AG, Thermochemistry of biscyclopentsdienyl metal compounds, Aust. J. Chem., 1967, 20, 12, 2757-621, https://doi.org/10.1071/CH9672757 . [all data]

Pommier and Azokpota, 1976
Pommier, C.; Azokpota, C., Study of phase transitions in metallocenes by determining specific heat curves, J. Calorim. Anal. Therm. [C.R.], 1976, 3-6, 1-8. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References