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Fluoroimidogen


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.

Quantity Value Units Method Reference Comment
Deltafgas59.500kcal/molReviewChase, 1998Data last reviewed in June, 1965
Quantity Value Units Method Reference Comment
gas,1 bar51.453cal/mol*KReviewChase, 1998Data last reviewed in June, 1965

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. - 1000.1000. - 6000.
A 4.7603118.865682
B 9.7375410.149206
C -8.714291-0.009164
D 2.8655810.000647
E 0.025531-0.334586
F 57.8048055.94799
G 54.8151160.82579
H 59.5001059.50010
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1965 Data last reviewed in June, 1965

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Constants of diatomic molecules, 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:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
B - John E. Bartmess

View reactions leading to FN+ (ion structure unspecified)

Electron affinity determinations

EA (eV) Method Reference Comment
0.499990EIAESidirov, 1982value altered from reference due to conversion from electron convention to ion convention; B

Ionization energy determinations

IE (eV) Method Reference Comment
12.1 ± 0.4EITarnovsky, Levin, et al., 1994LL
12.26 ± 0.01PEDyke, Jonathan, et al., 1982LBLHLM
12.63 ± 0.01PEDyke, Jonathan, et al., 1982Vertical value; LBLHLM

Constants of diatomic molecules

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: Klaus P. Huber and Gerhard H. Herzberg

Data collected through May, 1977

Symbols used in the table of constants
SymbolMeaning
State electronic state and / or symmetry symbol
Te minimum electronic energy (cm-1)
ωe vibrational constant – first term (cm-1)
ωexe vibrational constant – second term (cm-1)
ωeye vibrational constant – third term (cm-1)
Be rotational constant in equilibrium position (cm-1)
αe rotational constant – first term (cm-1)
γe rotation-vibration interaction constant (cm-1)
De centrifugal distortion constant (cm-1)
βe rotational constant – first term, centrifugal force (cm-1)
re internuclear distance (Å)
Trans. observed transition(s) corresponding to electronic state
ν00 position of 0-0 band (units noted in table)
Diatomic constants for 14N19F
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
Theoretical potential functions and spectroscopic constants for the ground and several excited states O'Hare and Wahl, 1971, Andersen and Ohrn, 1973, Ellis and Banyard, 1974
b 1Sigma+ 18877.05 1197.49 Z 8.64  1.23770 0.01448  5.28E-6  1.29983 b 1 rarrow X 2 V 18905.20 Z
missing citation
a 1Delta [12003.60]    [1.2225] 3   [4.5E-6]  [1.3079] a rarrow X V 11435.16 Z
missing citation
X 3Sigma- 0 1141.37 Z 8.99  1.20568 4 0.01492  5.39E-6  1.31698 5  
Milligan and Jacox, 1964

Notes

1Lifetime 0.16 s, estimated from the rate of attenuation of the green emission in the reaction N + NF2 along a flow tube Clyne and White, 1970.
2Franck-Condon factors Mohamed, Khanna, et al., 1974.
3Spin coupling constants lambda0 = 1.2l5, gamma0 = -0.0048.
4missing note
5Vibration sp. 7
6Estimated by O'Hare and Wahl, 1971 on the basis of spectroscopic and thermochemical data; the ab initio computed value is 3.6 eV.
7Observed in argon and nitrogen matrices, DeltaG(1/2) = 1115.

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, 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]

Sidirov, 1982
Sidirov, L.N., Molecules with a high electron affinity, Russ. Chem. Rev., 1982, 51, 356. [all data]

Tarnovsky, Levin, et al., 1994
Tarnovsky, V.; Levin, A.; Becker, K., Absolute cross sections for the electron impact ionization of the NF2 and NF free radicals, J. Chem. Phys., 1994, 100, 5626. [all data]

Dyke, Jonathan, et al., 1982
Dyke, J.M.; Jonathan, N.; Lewis, A.E.; Morris, A., Vacuum ultraviolet photoelectron spectroscopy of transient species. Part 14. A study of the ground state of NF+ via the ionization processes NF+(X 2«PI»)<--NF(X3«SIGMA»-,a1«DELTA»), J. Chem. Soc. Faraday Trans. 2, 1982, 78, 1445. [all data]

O'Hare and Wahl, 1971
O'Hare, P.A.G.; Wahl, A.C., Quantum-chemical study of some pnicogen monofluorides, J. Chem. Phys., 1971, 54, 4563. [all data]

Andersen and Ohrn, 1973
Andersen, A.; Ohrn, Y., Configuration interaction studies of NF and NF+, J. Mol. Spectrosc., 1973, 45, 358. [all data]

Ellis and Banyard, 1974
Ellis, D.J.; Banyard, K.E., A calculation of the spectroscopic constants for several states of NF, J. Phys. B:, 1974, 7, 2021. [all data]

Milligan and Jacox, 1964
Milligan, D.E.; Jacox, M.E., Infrared Spectra of NF, NCl, and NBr, J. Chem. Phys., 1964, 40, 9, 2461, https://doi.org/10.1063/1.1725547 . [all data]

Clyne and White, 1970
Clyne, M.A.A.; White, I.F., Electronic energy transfer processes in fluorine-containing radicals: singlet NF, Chem. Phys. Lett., 1970, 6, 465. [all data]

Mohamed, Khanna, et al., 1974
Mohamed, K.A.; Khanna, B.N.; Lal, K.M., Franck-Condon factors & r-centroids for the b1«SIGMA»+ -- X3«SIGMA»- band system of NF, Indian J. Pure Appl. Phys., 1974, 12, 243. [all data]


Notes

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