Cyanogen fluoride


Gas phase thermochemistry data

Go To: Top, 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.

Quantity Value Units Method Reference Comment
Δfgas8.599kcal/molReviewChase, 1998Data last reviewed in June, 1969
Quantity Value Units Method Reference Comment
gas,1 bar53.872cal/mol*KReviewChase, 1998Data last reviewed in June, 1969

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. to 600.600. to 6000.
A 7.52178112.94920
B 12.922901.265120
C -11.75560-0.286804
D 4.9718700.021677
E -0.031007-0.599714
F 5.7729002.995720
G 59.4264166.68449
H 8.5999108.599910
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1969 Data last reviewed in June, 1969

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

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
B - John E. Bartmess

Quantity Value Units Method Reference Comment
IE (evaluated)13.34 ± 0.02eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)151.kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity143.7kcal/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
3.67294R-AHeni, Illenberger, et al., 1986From CF3NC. G3MP2B3 calculations indicate an EA of ca. 0.3 eV, HOF(FCN-) = -5 kcal/mol; B
>3.9895EIAEHarland, Rankin, et al., 1974From PF2CN; B

Ionization energy determinations

IE (eV) Method Reference Comment
13.2PEAsbrink, Svensson, et al., 1981LLK
13.34 ± 0.02PEBieri, 1977LLK
13.32 ± 0.01PIDibeler and Liston, 1967RDSH
13.65PEAsbrink, Svensson, et al., 1981Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CF+16.35NPIDibeler and Liston, 1967RDSH
CN+19.21 ± 0.02FPIDibeler and Liston, 1967RDSH

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, 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: Takehiko Shimanouchi

Symmetry:   C     Symmetry Number σ = 1


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

σ+ 1 CN str 2323  C 2323 gas
π 2 Deform 451  A 451.32 gas
σ+ 3 CF str 1077  A 1076.52 gas

Source: Shimanouchi, 1972

Notes

A0~1 cm-1 uncertainty
C3~6 cm-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, 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]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Heni, Illenberger, et al., 1986
Heni, M.; Illenberger, E.; Lentz, D., The isomers CF3CN and CF3NC. Formation and dissociation of the anions formed on electron attachment, Int. J. Mass Spectrom. Ion Processes, 1986, 71, 199. [all data]

Harland, Rankin, et al., 1974
Harland, P.W.; Rankin, D.W.H.; Thynne, J.C.J., Ionisation by Electron Impact of Phosphorus Trifluoride and Difluorocyanophosphine, Int. J. Mass Spectrom. Ion Phys., 1974, 13, 4, 295, https://doi.org/10.1016/0020-7381(74)83019-6 . [all data]

Asbrink, Svensson, et al., 1981
Asbrink, L.; Svensson, A.; Von Niessen, W.; Bieri, G., 30.4 nm He(II) photoelectron spectra of organic molecules, J. Electron Spectrosc. Relat. Phenom., 1981, 24, 293. [all data]

Bieri, 1977
Bieri, G., Cyanogen fluoride: A photoelectron spectroscopic investigation, Chem. Phys. Lett., 1977, 46, 107. [all data]

Dibeler and Liston, 1967
Dibeler, V.H.; Liston, S.K., Mass-spectrometric study of photoionization. VIII.Dicyanogen and the cyanogen halides, J. Chem. Phys., 1967, 47, 4548. [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

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References