[2H]hydrogen fluoride

Formula: DF
Molecular weight: 21.0125050
IUPAC Standard InChI: InChI=1S/FH/h1H/i/hD
IUPAC Standard InChIKey: KRHYYFGTRYWZRS-DYCDLGHISA-N
CAS Registry Number: 14333-26-7
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.
Isotopologues:
- hydrogen fluoride
Other names: Hydrofluoric acid-d
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Information on this page:
Other data available:
- Gas phase thermochemistry data
Data at other public NIST sites:
- Gas Phase Kinetics Database
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Gas phase ion energetics data

Go To: Top, Constants of diatomic molecules, References, Notes

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

Ionization energy determinations

IE (eV)	Method	Reference	Comment
16.058	TE	Guyon, Spohr, et al., 1976	LLK
16.058 ± 0.003	PE	Walker, Dehmer, et al., 1973	LLK
16.030 ± 0.010	PI	Berkowitz, Chupka, et al., 1971	LLK
16.05 ± 0.01	PE	Brundle, 1970	RDSH
16.06 ± 0.01	PE	Lempka and Price, 1968	RDSH

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
D⁺	16.134 ± 0.005	F^-	PI	Berkowitz, Chupka, et al., 1971	LLK
D⁺	19.513 ± 0.005	F	PI	Berkowitz, Chupka, et al., 1971	LLK

Constants of diatomic molecules

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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 D¹⁹F
State	T_e	ω_e	ω_ex_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
B ¹Σ⁺	84824.0 1	839.4 Z	8.90	2.1210	0.0071₂		0.5543E-4	+0.0464E-4	2.0891	B → X R	833753.8 Z
B ¹Σ⁺	↳Johns and Barrow, 1959
X ¹Σ⁺	0	2998.19₂ 2 Z	45.76₁ 2	11.0102 2	0.3017 2	0.0027₅	5.94E-4 2	-0.12E-4	0.91694 3
	↳Talley, Kaylor, et al., 1950; Spanbauer and Rao, 1965
	Rotation sp. 4
	↳Revich and Stankevich, 1966; Perkins, 1968; De Lucia, Helminger, et al., 1971
	Mol. beam el. Reson. 5
	↳Muenter and Klemperer, 1970
	Mol. beam magn. Reson.
	↳Nelson, Leavitt, et al., 1961

Notes

Large electronic isotope shift.

Based on the 1-0 and 2-0 rotation-vibration bands Spanbauer and Rao, 1965; Using the older measurements of Talley, Kaylor, et al., 1950 for v=0,1,2 and their own measurements of the B-X system at high v" Johns and Barrow, 1959 obtain: G(v) = 3001.00₈(v+1/2) - 47.96₉(v+1/2)² + 0.58504(v+1/2)³ - 0.028102(v+1/2)⁴ + 9.9959E-4(v+1/2)⁵ - 2.0290E-5(v+1/2)⁶; (v≤24) B_v = 11.0037₅ - 0.3036₂(v+1/2) + 0.003849₅(v+1/2)² - 1.759₃E-4(v+1/2)³ + 9.168₇E-6(v+1/2)⁴ - 3.104₄E-7(v+1/2)⁵; also higher terms in the expression for D_v. De Lucia, Helminger, et al., 1971 obtain from the submillimeter microwave spectrum B₀= +10.86034₆.

Rot.-vibr. sp. 8 9 4

Mid- and far-infrared spectra in rare-gas matrices Mason, von Holle, et al., 1971.

missing note

From D₀⁰(HF).

From photoelectron spectra Lempka and Price, 1968, Brundle, 1970, 2, Walker, Dehmer, et al., 1973. Photoionization studies yield 16.03 eV Berkowitz, Chupka, et al., 1971.

Laser emission in the 4-3, 3-2, 2-1, 1-0 bands in transverse discharges through D₂ + SF₆ Coldhar, Osgood, et al., 1971; in a chemical laser source the emission extends to v=12 and Δv=6 Sileo and Cool, 1976.

The radiative lifetime of v=1 is 0.032 s; see Hinchen, 1974, missing citation.

μ_el(v=0, J=1)= 1.81881 D; also nuclear quadrupole and other hyperfine coupling constants.

References

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

Guyon, Spohr, et al., 1976
Guyon, P.-M.; Spohr, R.; Chupka, W.A.; Berkowitz, J., Threshold photoelectron spectra of HF, DF, F₂, J. Chem. Phys., 1976, 65, 1650. [all data]

Walker, Dehmer, et al., 1973
Walker, T.E.H.; Dehmer, P.M.; Berkowitz, J., Rotational band shapes in photoelectron spectroscopy: HF DF, J. Chem. Phys., 1973, 59, 4292. [all data]

Berkowitz, Chupka, et al., 1971
Berkowitz, J.; Chupka, W.A.; Guyon, P.M.; Holloway, J.H.; Spohr, R., Photoionization mass spectrometric study of F₂, HF, and DF, J. Chem. Phys., 1971, 54, 5165. [all data]

Brundle, 1970
Brundle, C.R., Ionization and dissociation energies of HF and DF and their bearing on D(F₂), Chem. Phys. Lett., 1970, 7, 317. [all data]

Lempka and Price, 1968
Lempka, H.J.; Price, W.C., Ionization energies of HF and DF, J. Chem. Phys., 1968, 48, 1875. [all data]

Johns and Barrow, 1959
Johns, J.W.C.; Barrow, R.F., The ultra-violet spectra of HF and DF, Proc. R. Soc. London A, 1959, 251, 504. [all data]

Talley, Kaylor, et al., 1950
Talley, R.M.; Kaylor, H.M.; Nielsen, A.H., The infra-red spectrum and molecular constants of HF and DF, Phys. Rev., 1950, 77, 4, 529-534. [all data]

Spanbauer and Rao, 1965
Spanbauer, R.N.; Rao, K.N., Vibration rotation bands of the DF molecule, J. Mol. Spectrosc., 1965, 16, 100-102. [all data]

Revich and Stankevich, 1966
Revich, V.E.; Stankevich, S.A., The rotational spectra of HF and DF molecules, Dokl. Phys. Chem. Engl. Transl., 1966, 170, 699, In original 1376. [all data]

Perkins, 1968
Perkins, A.J., Pure rotation spectrum of deuterium fluoride vapor, Spectrochim. Acta, Part A, 1968, 24, 285-286. [all data]

De Lucia, Helminger, et al., 1971
De Lucia, F.C.; Helminger, P.; Gordy, W., Submillimeter-wave spectra and equilibrium structures of the hydrogen halides, Phys. Rev. A: Gen. Phys., 1971, 3, 1849. [all data]

Muenter and Klemperer, 1970
Muenter, J.S.; Klemperer, W., Hyperfine structure constants of HF and DF, J. Chem. Phys., 1970, 52, 6033. [all data]

Nelson, Leavitt, et al., 1961
Nelson, H.M.; Leavitt, J.A.; Baker, M.R.; Ramsey, N.F., Nuclear interactions in deuterium fluoride, Phys. Rev., 1961, 122, 3, 856-859. [all data]

Mason, von Holle, et al., 1971
Mason, M.G.; von Holle, W.G.; Robinson, D.W., Mid- and far-infrared spectra of HF and DF in rare-gas matrices, J. Chem. Phys., 1971, 54, 3491. [all data]

Brundle, 1970, 2
Brundle, C.R., Ionization and dissociation energies of HF and DF and their bearing on D₀^o (F₂), Chem. Phys. Lett., 1970, 7, 3, 317-322. [all data]

Coldhar, Osgood, et al., 1971
Coldhar, J.; Osgood, R.M., Jr.; Javan, A., Observation of intense superradiant emission in the high-gain infrared transitions of HF and DF molecules, Appl. Phys. Lett., 1971, 18, 167. [all data]

Sileo and Cool, 1976
Sileo, R.N.; Cool, T.A., Overtone emission spectroscopy of HF and DF: vibrational matrix elements and dipole moment function, J. Chem. Phys., 1976, 65, 117. [all data]

Hinchen, 1974
Hinchen, J.J., Determination of vibration-rotation line strengths for HF and DF by use of an HF/DF cw laser, J. Opt. Soc. Am., 1974, 64, 1162. [all data]

Notes

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

Symbols used in this document:

AE Appearance energy
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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