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Ethyne, difluoro-


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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas5.000kcal/molReviewChase, 1998Data last reviewed in December, 1967
Deltafgas-45. ± 6.kcal/molEqkEhlert, 1969ALS
Quantity Value Units Method Reference Comment
gas,1 bar58.332cal/mol*KReviewChase, 1998Data last reviewed in December, 1967

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. - 1200.1200. - 6000.
A 9.15821020.42670
B 21.440800.234936
C -15.77190-0.046015
D 4.2779710.003107
E -0.058355-1.628120
F 1.251560-5.152570
G 63.3566077.34369
H 5.0000105.000010
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1967 Data last reviewed in December, 1967

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C2F2+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
11.18PEBieri, Schmelzer, et al., 1980LLK
11.18PEBieri, Heilbronner, et al., 1977LLK
11.4 ± 0.5EIEhlert, 1969, 2RDSH

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 HCACAV,61(1)357(1978); G. BIERI ET AL
NIST MS number 65540

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Vibrational and/or electronic energy levels

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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: Marilyn E. Jacox

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

Sigmag+ 1 CC stretch 2436 T gas IR Burger, Schneider, et al., 1991
McNaughton and Elmes, 1992
2 CF s-stretch 787 T gas IR Burger, Schneider, et al., 1991
McNaughton and Elmes, 1992
Sigmau+ 3 CF a-stretch 1349.524 gas IR Burger, Schneider, et al., 1991
Burger and Sommer, 1992
McNaughton and Elmes, 1992
3 CF a-stretch 1346.9 vs Ne IR Burger, Schneider, et al., 1991
3 CF a-stretch 1340.7 vs Ar IR Brahms and Dailey, 1989
Burger, Schneider, et al., 1991
Pig 4 Bend 270 T gas IR Burger, Schneider, et al., 1991
McNaughton and Elmes, 1992
Piu 5 Bend 268 T gas IR McNaughton and Elmes, 1992
5 Bend 286.7 w Ar IR Burger, Schneider, et al., 1991
5 Bend 279.3 w Ar IR Burger, Schneider, et al., 1991

Additional references: Jacox, 1994, page 197

Notes

wWeak
vsVery strong
TTentative assignment or approximate value

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Notes

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

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Ehlert, 1969
Ehlert, T.C., Bonding in C1 and C2 fluroides, J. Phys. Chem., 1969, 73, 949-953. [all data]

Bieri, Schmelzer, et al., 1980
Bieri, G.; Schmelzer, A.; Asbrink, L.; Jonsson, M., Fluorine and the fluoroderivatives of acetylene and diacetylene studied by 30.4 nm He(II) photoelectron spectroscopy, Chem. Phys., 1980, 49, 213. [all data]

Bieri, Heilbronner, et al., 1977
Bieri, G.; Heilbronner, E.; Stadelmann, J.-P.; Vogt, J.; von Niessen, W., Electronic states of difluoroacetylene, difluorodiacetylene, and perfluoropentadiyne-1,3 radical cations. A photoelectron spectroscopic investigation, J. Am. Chem. Soc., 1977, 99, 6832. [all data]

Ehlert, 1969, 2
Ehlert, T.C., Bonding in C1 and C2 fluorides, J. Phys. Chem., 1969, 73, 949. [all data]

Burger, Schneider, et al., 1991
Burger, H.; Schneider, W.; Sommer, S.; Thiel, W.; Willner, H., The vibrational spectrum and rotational constants of difluoroethyne FC 3/4 CF. Matrix and high resolution infrared studies and ab initio calculations, J. Chem. Phys., 1991, 95, 8, 5660, https://doi.org/10.1063/1.461640 . [all data]

McNaughton and Elmes, 1992
McNaughton, D.; Elmes, P., Spectrochim. Acta, 1992, 48A, 605. [all data]

Burger and Sommer, 1992
Burger, H.; Sommer, S., The high-resolution infrared spectrum of FC«58876»CF: The 1350 and 2150 cm-1 regions, J. Mol. Spectrosc., 1992, 151, 1, 148, https://doi.org/10.1016/0022-2852(92)90011-C . [all data]

Brahms and Dailey, 1989
Brahms, J.C.; Dailey, W.P., Difluoromaleic anhydride as a source of matrix isolated difluoropropadienone, difluorocyclopropenone and difluoroacetylene, J. Am. Chem. Soc., 1989, 111, 24, 8940, https://doi.org/10.1021/ja00206a039 . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References