Magnesium monofluoride
- Formula: FMg
- Molecular weight: 43.3034
- IUPAC Standard InChIKey: WSXHQDSJUJYQDO-UHFFFAOYSA-M
- CAS Registry Number: 14953-28-7
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, 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.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -56.599 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1976 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 52.832 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1976 |
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. to 6000. |
---|---|
A | 8.627720 |
B | 0.403888 |
C | -0.092167 |
D | 0.009799 |
E | -0.088473 |
F | -59.48599 |
G | 62.65911 |
H | -56.60000 |
Reference | Chase, 1998 |
Comment | Data last reviewed in June, 1976 |
Constants of diatomic molecules
Go To: Top, Gas phase thermochemistry 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 March, 1977
Symbol | Meaning |
---|---|
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) |
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
---|---|---|---|---|---|---|---|---|---|---|---|---|
(V shaded emission bands in the region 1800 - 1900 Å, attributed to MgF+ by Novikov and Gurvich, 1971, are due to the B → X transition of AlF.) | ||||||||||||
G (2Σ) | 74304.2 | 800.0 H | 6.18 1 | (G ↔ X) (V) | 74343 | |||||||
↳Novikov and Gurvich, 1971 | ||||||||||||
F (2Σ) | 57067.2 | 756.6 H | 4.06 1 | (F ↔ X) (V) | 57085 | |||||||
↳Novikov and Gurvich, 1971 | ||||||||||||
E (2Π) | 55694.9 | 775.9 H | 4.00 1 | (E ↔ X) (V) | 55722 | |||||||
↳Novikov and Gurvich, 1971 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
D (2Π) | 54263.6 | 792.3 H | 4.38 1 | (D ↔ X) (V) | 54299 | |||||||
↳Novikov and Gurvich, 1971 | ||||||||||||
C 2Σ+ | 42538.9 | [813.10] Z | (5.04) | 0.55102 | 0.00449 | [0.00991E-4] 2 | 1.6988 | C ← X 3 V | 42589.64 Z | |||
↳missing citation; Barrow and Beale, 1967 | ||||||||||||
B 2Σ+ | 37167.3 | [750.94] Z | (5.60) | 0.53844 | 0.00510 | [0.01083E-4] 4 | 1.7185 | B ↔ X 5 V | 37187.45 Z | |||
↳Jevons, 1929; missing citation; missing citation; Barrow and Beale, 1967 | ||||||||||||
A 2Πr | 27851.2 6 | 746.0 H | 3.97 | 1.7469 | A ↔ X 7 V | 27863.7 Z | ||||||
↳missing citation; missing citation; Barrow and Beale, 1967 | ||||||||||||
27816.1 | [740.12] Z | 0.52105 8 | 0.00327 | [0.0038E-4] H | A ↔ X 7 V | 27829.60 Z | ||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
X 2Σ+ | 0 | [711.69] Z | (4.94) | 0.51922 | 0.00470 | [0.01080E-4] 9 | 1.7500 10 | |||||
↳Knight, Easley, et al., 1971 |
Notes
1 | Four 0-0 sequences; no details. |
2 | D1 = 0.00984E-4 |
3 | Franck-Condon factors Maheshwari, Singh, et al., 1968, Rao and Lakshman, 1970. |
4 | D1 = 0.01085E-4. |
5 | Franck-Condon factors Maheshwari, Singh, et al., 1968, Rao and Lakshman, 1970, 2. |
6 | A = +37 Barrow and Beale, 1967, Walker and Richards, 1970. The regular character of this state is suggested by the theoretical calculations of Walker and Richards, 1968, Walker and Richards, 1970 and supported by the analysis of the ESR spectra Knight, Easley, et al., 1971. |
7 | Morse potential Franck-Condon factors Singh, Shukla, et al., 1969. |
8 | For Λ-type doubling constants see Barrow and Beale, 1967 and Walker and Richards, 1970. |
9 | D1 = 0.01075E-4. |
10 | ESR sp. 13 |
11 | Thermochemical value (mass-spectrometry) Hildenbrand, 1968; similar results can be obtained from Ehlert, Blue, et al., 1964 and Murad, Hildenbrand, et al., 1966 with the use of appropriately revised auxiliary data. |
12 | D1 = 0.0078E-4. |
13 | In Ne and Ar matrices at 4K. |
References
Go To: Top, Gas phase thermochemistry 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]
Novikov and Gurvich, 1971
Novikov, M.M.; Gurvich, L.V.,
The electronic spectra of MgF and MgF+,
J. Appl. Spectrosc. Engl. Transl., 1971, 14, 820, In original 1113. [all data]
Barrow and Beale, 1967
Barrow, R.F.; Beale, J.R.,
Rotational analysis of electronic bands of gaseous MgF,
Proc. Phys. Soc. (London), 1967, 91, 483. [all data]
Jevons, 1929
Jevons, W.,
Observations in connection with the band systems of the fluorides of beryllium and magnesium,
Proc. R. Soc. London A, 1929, 122, 211. [all data]
Knight, Easley, et al., 1971
Knight, L.B., Jr.; Easley, W.C.; Weltner, W., Jr.,
Hyperfine interaction and chemical bonding in MgF, CaF, SrF, and BaF molecules,
J. Chem. Phys., 1971, 54, 322. [all data]
Maheshwari, Singh, et al., 1968
Maheshwari, R.C.; Singh, I.D.; Shukla, M.M.,
Franck-Condon factors and r centroids for the B-X and C-X systems of the MgF molecule,
J. Phys. B:, 1968, 1, 993. [all data]
Rao and Lakshman, 1970
Rao, T.V.R.; Lakshman, S.V.J.,
r-Centroids and Franck-Condon factors for the bands of the C2Σ+-X2Σ+ system of MgF,
J. Quant. Spectrosc. Radiat. Transfer, 1970, 10, 945. [all data]
Rao and Lakshman, 1970, 2
Rao, T.V.R.; Lakshman, S.V.J.,
The true potential energy curves, γ-centroids and Franck-Condon factors of the bands of the B2Σ+-X2Σ+ system of MgF,
Physica (Amsterdam), 1970, 46, 609. [all data]
Walker and Richards, 1970
Walker, T.E.H.; Richards, W.G.,
The assignment of molecular orbital configurations on the basis of λ-type doubling,
J. Phys., 1970, 3, 271. [all data]
Walker and Richards, 1968
Walker, T.E.H.; Richards, W.G.,
The nature of the first excited electronic state in MgF,
J. Phys. B:, 1968, 1, 1061. [all data]
Singh, Shukla, et al., 1969
Singh, I.D.; Shukla, M.M.; Maheshwari, R.C.,
Vibrational transition probabilities and r-centroids for the A-X system of the magnesium fluoride molecule,
J. Quant. Spectrosc. Radiat. Transfer, 1969, 9, 533. [all data]
Hildenbrand, 1968
Hildenbrand, D.L.,
Mass-spectrometric studies of bonding in the group IIA fluorides,
J. Chem. Phys., 1968, 48, 3657. [all data]
Ehlert, Blue, et al., 1964
Ehlert, T.C.; Blue, G.D.; Green, J.W.; Margrave, J.L.,
Mass spectrometric studies at high temperatures. IV. Dissociation energies of the alkaline earth monofluorides,
J. Chem. Phys., 1964, 41, 2250. [all data]
Murad, Hildenbrand, et al., 1966
Murad, E.; Hildenbrand, D.L.; Main, R.P.,
Dissociation energies of group IIIA monofluorides-the possibility of potential maxima in their excited H states,,
J. Chem. Phys., 1966, 45, 263. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Constants of diatomic molecules, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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