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Tetracyano-p-quinodimethane

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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 as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas771.1kJ/molN/AMetzger, Kuo, et al., 1983Value computed using «DELTA»fHsolid° value of 666.1±5.9 kj/mol from Metzger, Kuo, et al., 1983 and «DELTA»subH° value of 105.0 kj/mol from Boyd, 1963.; DRB
Deltafgas770. ± 10.kJ/molCcbBoyd, 1963ALS

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
Deltafsolid666.1 ± 5.9kJ/molCcrMetzger, Kuo, et al., 1983see Metzger, 1977
Deltafsolid665. ± 3.kJ/molCcbBoyd, 1963 
Quantity Value Units Method Reference Comment
Deltacsolid-5958.9 ± 5.7kJ/molCcrMetzger, Kuo, et al., 1983see Metzger, 1977
Deltacsolid-5959. ± 3.kJ/molCcbBoyd, 1963 

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tfus567.KN/AMetzger, Kuo, et al., 1983, 2Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Deltasub105.kJ/molVBoyd, 1963ALS
Deltasub105.0kJ/molN/ABoyd, 1963DRB

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
108. ± 2.500.TKersten and Oppermann, 1984Based on data from 452. - 553. K.; AC
122. ± 2.423.MEKersten and Oppermann, 1984Based on data from 382. - 464. K.; AC
126. ± 1.413.ME,TEde Kruif and Govers, 1980AC
105. ± 10.448.N/ASwain, Kwan, et al., 1980Based on data from 433. - 499. K. See also Stephenson and Malanowski, 1987.; AC
105. ± 9.2465.MGBoyd, 1963, 2See also Cox and Pilcher, 1970.; AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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 by: John E. Bartmess

Electron affinity determinations

EA (eV) Method Reference Comment
2.80 ± 0.30NBIECompton and Cooper, 1977The neutral HOF is not in 94PED, but this value agrees very well with G3B calculations.
2.80 ± 0.10NBIEKlots, Compton, et al., 1974Bound excited states: Brinkman, Gunther, et al., 1994.
2.80 ± 0.10SINazarenko and Pokhodenko, 1979The Magnetron method, lacking mass analysis, is not considered reliable.
2.88 ± 0.19SIFarragher and Page, 1967The Magnetron method, lacking mass analysis, is not considered reliable.

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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Mass 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-2413
NIST MS number 234227

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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.

Metzger, Kuo, et al., 1983
Metzger, R.M.; Kuo, C.S.; Arafat, E.S., A semi-micro rotating-bomb combustion calorimeter, J. Chem. Thermodyn., 1983, 15, 841-851. [all data]

Boyd, 1963
Boyd, R.H., Thermochemistry of cyanocarbons, J. Chem. Phys., 1963, 38, 2529-2535. [all data]

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]

Metzger, Kuo, et al., 1983, 2
Metzger, R.M.; Kuo, C.S.; Arafat, E.S., A semi-micro rotating-bomb combustion calorimeter, J. Chem. Thermodyn., 1983, 15, 841. [all data]

Kersten and Oppermann, 1984
Kersten, von F.; Oppermann, H., Z. Phys. Chem. (Leipzig), 1984, 265, 1207. [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]

Swain, Kwan, et al., 1980
Swain, H.A.; Kwan, Chiu-Yin; Sung, Ho-Nan, Measurement of vapor pressures from 20 to 30.degree.C of long-chain peroxy acids, J. Phys. Chem., 1980, 84, 11, 1347-1349, https://doi.org/10.1021/j100448a012 . [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]

Boyd, 1963, 2
Boyd, Richard H., Thermochemistry of Cyanocarbons, J. Chem. Phys., 1963, 38, 10, 2529, https://doi.org/10.1063/1.1733536 . [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press Inc., London, 1970, 643. [all data]

Compton and Cooper, 1977
Compton, R.N.; Cooper, C.D., Negative ion properties of tetracyanoquinodimethane: Electron affinity and compound states, J. Chem. Phys., 1977, 66, 4325. [all data]

Klots, Compton, et al., 1974
Klots, C.E.; Compton, R.N.; Raaen, V.F., Electronic and ionic properties of of molecular TTF and TCMQ, J. Chem. Phys., 1974, 60, 1177. [all data]

Brinkman, Gunther, et al., 1994
Brinkman, E.A.; Gunther, E.; Schafer, O.; Brauman, J.I., Bound Excited Electronic States of Anions, J. Chem. Phys., 1994, 100, 3, 1840, https://doi.org/10.1063/1.466535 . [all data]

Nazarenko and Pokhodenko, 1979
Nazarenko, V.A.; Pokhodenko, V.D., The formation of negative ions in high electric fields, Int. J. Mass Spectrom. Ion Phys., 1979, 31, 381. [all data]

Farragher and Page, 1967
Farragher, A.L.; Page, F.M., Experimental Determination of Electron Affinities. Part 11. - Electron Capture by Some Cyanocarbons and Related Compounds, Trans. Farad. Soc., 1967, 63, 2369, https://doi.org/10.1039/tf9676302369 . [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