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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

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
19.2196.AStephenson and Malanowski, 1987Based on data from 133. - 211. K. See also Dykyj, 1970.
17.4196.AStephenson and Malanowski, 1987Based on data from 178. - 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:   C2nu     Symmetry Number sigma = 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)«pi»-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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