Thiocarbonyl fluoride


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

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
4.59196.AStephenson and Malanowski, 1987Based on data from 133. to 211. K. See also Dykyj, 1970.
4.16196.AStephenson and Malanowski, 1987Based on data from 178. to 211. K. See also Dykyj, Svoboda, et al., 1999 and Downs, 1962.

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

View reactions leading to CF2S+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
10.3EIBinnewies, Grosse, et al., 1985LBLHLM
10.52PEMines, Thomas, et al., 1973LLK
10.53 ± 0.10EIHildenbrand, 1973LLK
10.45 ± 0.01PEKroto and Suffolk, 1972LLK
10.64PEWittel, Hass, et al., 1972Vertical value; LLK

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: Takehiko Shimanouchi

Symmetry:   C     Symmetry Number σ = 2


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a1 1 CS str 1368  C 1368 VS gas
a1 2 CF2 s-str 787  C 787 M gas
a1 3 CF2 scis 526  C 526 M gas
b1 4 CF2 a-str 1189  C 1189 S gas
b1 5 CF2 rock 417  C 417 VW gas
b2 6 CF2 wag 622  C 622 W gas

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
VWVery weak
C3~6 cm-1 uncertainty

References

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

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]

Dykyj, 1970
Dykyj, J., Petrochemica, 1970, 10, 2, 51. [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]

Downs, 1962
Downs, A.J., 846. Thiocarbonyl fluoride, J. Chem. Soc., 1962, 4361, https://doi.org/10.1039/jr9620004361 . [all data]

Binnewies, Grosse, et al., 1985
Binnewies, M.; Grosse, J.; Le Van, D., Reaktive E=C(p-p)π-systeme II: Massenspektrometrische untersuchun von F3CP=CF2, F3CAs=CF2, S=CF2 und Se=CF2, Phosphorus Sulfur, 1985, 21, 349. [all data]

Mines, Thomas, et al., 1973
Mines, G.W.; Thomas, R.K.; Thompson, H., The photoelectron spectra of thiocarbonyl fluoride and thiocarbonyl chloride, Proc. R. Soc. London A:, 1973, 333, 171. [all data]

Hildenbrand, 1973
Hildenbrand, D.L., Mass spectrometric studies of some gaseous sulfur fluorides, J. Phys. Chem., 1973, 77, 897. [all data]

Kroto and Suffolk, 1972
Kroto, H.W.; Suffolk, R.J., The photoelectron spectrum of and F2CS fluorine substitution shifts, Chem. Phys. Lett., 1972, 17, 213. [all data]

Wittel, Hass, et al., 1972
Wittel, K.; Hass, A.; Bock, H., Photoelektronenspektren und molekuleigenschaften, XVI. Thiocarbonylhalogenide-orbitale und ladungen, Chem. Ber., 1972, 105, 3865. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume II, J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]


Notes

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