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Tetrathiafulvalene


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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafsolid69.51 ± 0.41kcal/molCcrMetzger, 1977Heat of formation H2SO4.60H2O=-598.98kJ/mol
Quantity Value Units Method Reference Comment
Deltacsolid-1343.09 ± 0.39kcal/molCcrMetzger, 1977Heat of formation H2SO4.60H2O=-598.98kJ/mol

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 by: William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Reference Comment
22.8343.Dykyj, Svoboda, et al., 1999Based on data from 331. - 355. K.

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
22.8 ± 0.2345.TE,MEde Kruif and Govers, 1980 
22. ± 1.5351.HSASandman, Epstein, et al., 1979Based on data from 341. - 361. K.

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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
6.3PEKobayashi, Yoshida, et al., 1984LBLHLM
7.00CTSEngler, Kaufman, et al., 1975LLK
6.72PEKobayashi, Yoshida, et al., 1984Vertical value; LBLHLM
6.83PEGleiter, Kobayashi, et al., 1975Vertical value; LLK
6.92 ± 0.03PEBerlinsky, Carolan, et al., 1974Vertical value; LLK
6.83PEGleiter, Schmidt, et al., 1973Vertical value; LLK

Mass spectrum (electron ionization)

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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: 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-NW-7378
NIST MS number 235609

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References

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

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

Metzger, 1977
Metzger, R.M., The enthalpy of formation and the experimental crystal binding energy of tetrathiofulvalenium 7,7,8,8-tetracyanoquinodimethanide (TTF TCNQ), J. Chem. Phys., 1977, 66, 2525-2533. [all data]

Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R., Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [all data]

de Kruif and Govers, 1980
de Kruif, C.G.; Govers, H.A.J., Enthalpies of sublimation and vapor pressures of 2,2´-bis-1,3-dithiole (TTF), 7,7,8,8-tetracyanoquinodimethane (TCNQ), and TTF--TCNQ (1:1), J. Chem. Phys., 1980, 73, 1, 553, https://doi.org/10.1063/1.439854 . [all data]

Sandman, Epstein, et al., 1979
Sandman, D.J.; Epstein, A.J.; Chickos, J.S.; Ketchum, J.; Fu, J.S.; Scheraga, H.A., Crystal lattice and polarization energy of tetrathiafulvalene, J. Chem. Phys., 1979, 70, 1, 305, https://doi.org/10.1063/1.437191 . [all data]

Kobayashi, Yoshida, et al., 1984
Kobayashi, T.; Yoshida, Z.; Awaji, H.; Kawase, T.; Ioneda, S., Intramolecular orbital interaction in 6,6'-bi(1,4-dithiafulvenyl) studied by photoelectron spectroscopy, Bull. Chem. Soc. Jpn., 1984, 57, 2591. [all data]

Engler, Kaufman, et al., 1975
Engler, E.M.; Kaufman, F.B.; Green, D.C.; Klots, C.E.; Compton, R.N., Ionization potentials and donor properties of selenium analogs of tetrathiafulvalene, J. Am. Chem. Soc., 1975, 97, 2921. [all data]

Gleiter, Kobayashi, et al., 1975
Gleiter, R.; Kobayashi, M.; Spanget-Larsen, J.; Ferraris, J.P.; Bloch, A.N.; Bechgaard, K.; Cowan, D.O., Photoelectron and electronic absorption spectra of tetrathiafulvalene and related compounds, Ber. Bunsen-Ges. Phys. Chem., 1975, 79, 1218. [all data]

Berlinsky, Carolan, et al., 1974
Berlinsky, A.J.; Carolan, J.F.; Weiler, L., Photoelectron spectrum and electronic structure of tetrathiofulvalene (TTF), Can. J. Chem., 1974, 52, 3373. [all data]

Gleiter, Schmidt, et al., 1973
Gleiter, R.; Schmidt, E.; Cowan, D.O.; Ferraris, J.P., The electronic structure of tetrathiofulvalene, J. Electron Spectrosc. Relat. Phenom., 1973, 2, 207. [all data]


Notes

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