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Bis(cyclopentadienyl)hafnium dichloride


Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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 by: José A. Martinho Simões

Quantity Value Units Method Reference Comment
Deltafgas-428.4 ± 4.3kJ/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 by: José A. Martinho Simões

Quantity Value Units Method Reference Comment
Deltafsolid-535.1 ± 3.8kJ/molReviewMartinho Simões 
Quantity Value Units Method Reference Comment
Deltacsolid-5991.5 ± 2.5kJ/molCC-SBKir'yanov, Tel'noi, et al., 1976Please also see Tel'noi and Rabinovich, 1977. The enthalpy of combustion was quoted from Tel'noi and Rabinovich, 1977.

Phase change 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:
AC - William E. Acree, Jr., James S. Chickos
MS - José A. Martinho Simões

Quantity Value Units Method Reference Comment
Deltasub107.3 ± 2.4kJ/molN/AKISER, DILLARD, et al., 2009See also Diogo, Minas da Piedade, et al., 2001.; AC
Deltasub110.2 ± 2.9kJ/molMEDiogo, Minas da Piedade, et al., 2001AC
Deltasub106.7 ± 2.1kJ/molN/APilcher and Skinner, 1983See also Kir'yanov, Tel'noi, et al., 1976.; AC
Deltasub106.7 ± 2.1kJ/molCC-SBKir'yanov, Tel'noi, et al., 1976Another value for the enthalpy of sublimation has been reported: 100.4 ± 1.3 kJ/mol Balducci, Bardi, et al., 1977; MS

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
100.3420.5AStephenson and Malanowski, 1987Based on data from 394. - 447. K.; AC

Gas phase ion energetics 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
8.9 ± 0.1PECauletti, Clark, et al., 1980Vertical value; LLK
8.87 ± 0.05PECondorelli, Fragala, et al., 1975Vertical value; LLK

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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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Additional Data

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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- 247
NIST MS number 239341

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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]

Kir'yanov, Tel'noi, et al., 1976
Kir'yanov, K.V.; Tel'noi, V.I.; Vasil'eva, G.A.; Rabinovich, I.B., Dokl. Akad. Nauk SSSR, 1976, 231, 1021. [all data]

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

KISER, DILLARD, et al., 2009
KISER, ROBERT W.; DILLARD, JOHN G.; DUGGER, DONALD L., Mass Spectrometry of Inorganic Halides, 2009, 153-180, https://doi.org/10.1021/ba-1968-0072.ch012 . [all data]

Diogo, Minas da Piedade, et al., 2001
Diogo, Hermínio P.; Minas da Piedade, Manuel E.; Gonçalves, Jorge M.; Monte, Manuel J.S.; Ribeiro da Silva, Manuel A.V., Enthalpies of Sublimation of M(«eta»5-C5H5)2Cl2 (M = Ti, Zr, Hf, V, Nb, W) Complexes, Eur. J. Inorg. Chem., 2001, 2001, 1, 257-262, https://doi.org/10.1002/1099-0682(20011)2001:1<257::AID-EJIC257>3.0.CO;2-2 . [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]

Balducci, Bardi, et al., 1977
Balducci, G.; Bardi, G.; de Maria, G.; Gigli, R., VII All-Union Calorimetry Conference, Moscow, 1977. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Cauletti, Clark, et al., 1980
Cauletti, C.; Clark, J.P.; Green, J.C.; Jackson, S.E.; Fragala, I.L.; Ciliberto, E.; Coleman, A.W., Photoelectron spectra of bis-cyclopentadienyl metal dihalides, J. Electron Spectrosc. Relat. Phenom., 1980, 18, 61. [all data]

Condorelli, Fragala, et al., 1975
Condorelli, G.; Fragala, I.; Centineo, A.; Tondello, E., The electronic structure and photoelectron spectra of dichlorodi-«pi»-cyclopentadienyl- titanium(IV), -zirconium(IV) and- hafnium(IV), J. Organomet. Chem., 1975, 87, 311. [all data]


Notes

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