Iodine monofluoride

Formula: FI
Molecular weight: 145.90287
IUPAC Standard InChI: InChI=1S/FI/c1-2
IUPAC Standard InChIKey: PDJAZCSYYQODQF-UHFFFAOYSA-N
CAS Registry Number: 13873-84-2
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
Species with the same structure:
- iodine heptafluoride
Information on this page:
Other data available:
- Gas phase thermochemistry data
- Gas phase ion energetics data
Data at other public NIST sites:
- Microwave spectra (on physics lab web site)
- Gas Phase Kinetics Database
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Constants of diatomic molecules

Data compiled by: Klaus P. Huber and Gerhard H. Herzberg

Data collected through January, 1977

Symbols used in the table of constants
Symbol	Meaning
State	electronic state and / or symmetry symbol
T_e	minimum electronic energy (cm^-1)
ω_e	vibrational constant – first term (cm^-1)
ω_ex_e	vibrational constant – second term (cm^-1)
ω_ey_e	vibrational constant – third term (cm^-1)
B_e	rotational constant in equilibrium position (cm^-1)
α_e	rotational constant – first term (cm^-1)
γ_e	rotation-vibration interaction constant (cm^-1)
D_e	centrifugal distortion constant (cm^-1)
β_e	rotational constant – first term, centrifugal force (cm^-1)
r_e	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
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	r_e	Trans.	ν₀₀
B ³Π₀₊	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 → X 4 R	18952.8₆ Z
B ³Π₀₊	↳missing citation; missing citation; missing citation
A ³Π₁	15706	380.5 H	3.8							A → X R	15591 H
A ³Π₁	↳missing citation
X ¹Σ⁺	0	610.24 1 Z	3.123	-0.00347	0.279710₈	0.001873₄	-0.0000027	0.237E-6	1.90975₉ 5
X ¹Σ⁺	↳McGurk and Flygare, 1973; Tiemann, Hoeft, et al., 1973

Notes

The vibrational constants for both B ³Π₀₊ and X ¹Σ⁺ 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.

See 1.

Onset of predissociation at J=45 of v=11 (23341 cm^-1).

RKR Franck-Condon factors, variation of transition moment with r Birks, Gabelnick, et al., 1975.

Microwave sp. 8

This is the value of Birks, Gabelnick, et al., 1975 and Coxon, 1975, based on a discussion of the vibrational levels in A ³Π₁ and B ³Π₀₊; 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.

Electron impact appearance potential Irsa and Friedman, 1958.

Iodine hyperfine coupling constants Tiemann, Hoeft, et al., 1973.

References

Go To: Top, Constants of diatomic molecules, Notes

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]

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

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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