Ethyne, difluoro-


Gas phase thermochemistry data

Go To: Top, Gas phase ion energetics 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas5.000kcal/molReviewChase, 1998Data last reviewed in December, 1967
Δfgas-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.

View plot Requires a JavaScript / HTML 5 canvas capable browser.

View table.

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)

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

Due to licensing restrictions, this spectrum cannot be downloaded.

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

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


Vibrational and/or electronic energy levels

Go To: Top, Gas 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 by: Marilyn E. Jacox

State:   X


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

Σg+ 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
Σu+ 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
Πg 4 Bend 270 T gas IR Burger, Schneider, et al., 1991
McNaughton and Elmes, 1992
Πu 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