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Iodine monofluoride


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
Deltafgas-94.76kJ/molReviewChase, 1998Data last reviewed in December, 1965
Quantity Value Units Method Reference Comment
gas,1 bar236.27J/mol*KReviewChase, 1998Data last reviewed in December, 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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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View table.

Temperature (K) 298. - 6000.
A 36.69370
B 1.466160
C -0.171088
D 0.014722
E -0.327441
F -106.8670
G 278.4060
H -94.75920
ReferenceChase, 1998
Comment Data last reviewed in December, 1965

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 evaluated as indicated in comments:
L - Sharon G. Lias

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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

View reactions leading to FI+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.54 ± 0.01eVN/AN/AL

Electron affinity determinations

EA (eV) Method Reference Comment
>1.0 ± 0.19EIAEHeni and Illenberger, 1986From CF3I. Based on periodic trends, EA is likely to be ca. 2.0 eV; B
2.61382N/ACheck, Faust, et al., 2001FeCl4-(q); ; «DELTA»S(EA)=5.6; B

Ionization energy determinations

IE (eV) Method Reference Comment
10.54 ± 0.01PEColbourn, Dyke, et al., 1978LLK
10.5 ± 0.3EIIrsa and Friedman, 1958RDSH
10.62PEDyke, Josland, et al., 1984Vertical value; LBLHLM

Constants of diatomic molecules

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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: Klaus P. Huber and Gerhard H. Herzberg

Data collected through January, 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 127I19F
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
B 3Pi0+ 19052.24 411.34 1 Z 2.825 2 -0.0744 0.22721 3 0.001398 -8.2E-5 0.28E-6  2.1189 B rarrow X 4 R 18952.86 Z
missing citation; missing citation; missing citation
A 3Pi1 15706 380.5 H 3.8        A rarrow X R 15591 H
missing citation
X 1Sigma+ 0 610.24 1 Z 3.123 -0.00347 0.2797108 0.0018734 -0.0000027 0.237E-6  1.909759 5  
McGurk and Flygare, 1973; Tiemann, Hoeft, et al., 1973

Notes

1The vibrational constants for both B 3Pi0+ and X 1Sigma+ have been recalculated from the data of Durie, 1966. Similar revised constants for the ground state may be found in Coxon, 1975. Additional higher order constants are needed to represent the B state levels above v=6.
2See 1.
3Onset of predissociation at J=45 of v=11 (23341 cm-1).
4RKR Franck-Condon factors, variation of transition moment with r Birks, Gabelnick, et al., 1975.
5Microwave sp. 8
6This is the value of Birks, Gabelnick, et al., 1975 and Coxon, 1975, based on a discussion of the vibrational levels in A 3Pi1 and B 3Pi0+; an upper limit of 2.894eV follows from the observed predissociation in B. Child and Bernstein, 1973 suggest D00 = 2.54 eV Child and Bernstein, 1973 on the basis of comparisons with other interhalogens.
7Electron impact appearance potential Irsa and Friedman, 1958.
8Iodine hyperfine coupling constants Tiemann, Hoeft, et al., 1973.

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]

Heni and Illenberger, 1986
Heni, M.; Illenberger, E., Dissociative Electron Attachment to CF3I: An Example of a Completely Unbalanced Excess Energy Distribution, Chem. Phys. Lett., 1986, 131, 4-5, 314, https://doi.org/10.1016/0009-2614(86)87157-3 . [all data]

Check, Faust, et al., 2001
Check, C.E.; Faust, T.O.; Bailey, J.M.; Wright, B.J.; Gilbert, T.M.; Sunderlin, L.S., Addition of Polarization and Diffuse Functions to the LANL2DZ Basis Set for P-Block Elements, J. Phys. Chem. A,, 2001, 105, 34, 8111, https://doi.org/10.1021/jp011945l . [all data]

Colbourn, Dyke, et al., 1978
Colbourn, E.A.; Dyke, J.M.; Fayad, N.K.; Morris, A., The He(I) photoelectron spectra of BrF and IF, J. Electron Spectrosc. Relat. Phenom., 1978, 14, 443. [all data]

Irsa and Friedman, 1958
Irsa, A.P.; Friedman, L., Mass spectra of halogen fluorides, J. Inorg. Nucl. Chem., 1958, 6, 77. [all data]

Dyke, Josland, et al., 1984
Dyke, J.M.; Josland, G.D.; Snijders, J.G.; Boerrigter, P.M., Ionization energies of the diatomic halogens and interhalogens studied with relativistic hartree-fock-slater calculations, Chem. Phys., 1984, 91, 419. [all data]

McGurk and Flygare, 1973
McGurk, J.C.; Flygare, W.H., Detection and assignment of the microwave spectrum of IF, J. Chem. Phys., 1973, 59, 5742. [all data]

Tiemann, Hoeft, et al., 1973
Tiemann, E.; Hoeft, J.; Torring, T., Das Rotationsspektrum des JF, Z. Naturforsch. A, 1973, 28, 1405. [all data]

Durie, 1966
Durie, R.A., The electronic emision spectrum and molecular constants of iodine monofluoride, Can. J. Phys., 1966, 44, 337. [all data]

Coxon, 1975
Coxon, J.A., Dissociation energies of diatomic halogen fluorides, Chem. Phys. Lett., 1975, 33, 136. [all data]

Birks, Gabelnick, et al., 1975
Birks, J.W.; Gabelnick, S.D.; Johnston, H.S., Chemiluminescence of IF in the gas phase reaction of I2 with F2, J. Mol. Spectrosc., 1975, 57, 23. [all data]

Child and Bernstein, 1973
Child, M.S.; Bernstein, R.B., Diatomic interhalogens: systematics and implications of spectroscopic interatomic potentials and curve crossings, J. Chem. Phys., 1973, 59, 5916. [all data]


Notes

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