Scandium monofluoride
- Formula: FSc
- Molecular weight: 63.954315
- CAS Registry Number: 14017-33-5
- Information on this page:
- Other data available:
- Options:
Constants of diatomic molecules
Go To: Top, 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, 1975
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|
H 1Π | [0.3671] 1 | [1.8543] | H ↔ X R | 38806.1 Z | ||||||||
↳Barrow, Bastin, et al., 1967; Barrow, 1979 | ||||||||||||
H 1Π 2 | V | 35942.0 HQ | ||||||||||
↳Barrow, Bastin, et al., 1967; Barrow, 1979 | ||||||||||||
G 1Π | 35009 | [570] H | [0.378] 1 3 | [1.827] | G ↔ X R | 34926.7 4 Z | ||||||
↳Gurvich and Shenyavskaya, 1963; Barrow, Gissane, et al., 1964; Barrow, Bastin, et al., 1967 | ||||||||||||
g 3Φ4 | [0.3463] | [1.9092] | g ← a | 27202.2 Z | ||||||||
↳Barrow, Bastin, et al., 1967 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
g 3Φ3 | [0.3441] | [1.9153] | g ← a R | 27171.1 Z | ||||||||
↳Barrow, Bastin, et al., 1967 | ||||||||||||
g 3Φ2 | [0.3413] | [1.9231] | g ← a | 27138.2 Z | ||||||||
↳Barrow, Bastin, et al., 1967 | ||||||||||||
F 1Π | 26891.5 | [565.3] Z | (3.1) | 0.3461 5 | 0.0025 | 1.9098 | F ← X R | 26809.6 Z | ||||
↳Barrow, Gissane, et al., 1964; Barrow, Bastin, et al., 1967 | ||||||||||||
F 1Π 6 | F ← X R | 26300 | ||||||||||
↳Barrow, Bastin, et al., 1967 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
F 1Π 7 | F ← X V | 21927 H | ||||||||||
↳Barrow, Bastin, et al., 1967; Shenyavskaya, Mal'tsev, et al., 1967; Barrow, 1979 | ||||||||||||
E 1Π | 20383.5 | 622.1 Z | 3.7 | 0.3630 1 3 | 0.00296 | 1.8648 | E ↔ X R | 20326.8 Z | ||||
↳Barrow, Gissane, et al., 1964; McLeod and Weltner, 1966; Barrow, Bastin, et al., 1967; Shenyavskaya, Mal'tsev, et al., 1967 | ||||||||||||
(3Π2) | [0.3677] 1 | [1.8528] | d ← a | 18361.4 Z | ||||||||
d (3Π1) | d ← a R | 18336.0 | ||||||||||
↳Barrow, Bastin, et al., 1967 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
C 1Σ+ | 16164.7 | 589.6 Z | 2.64 | 0.3473 | 0.0024 | 1.9065 | C ↔ X R | 16092.0 Z | ||||
↳Barrow, Gissane, et al., 1964; McLeod and Weltner, 1966; Barrow, Bastin, et al., 1967 | ||||||||||||
c 3Φ4 | a3 + 15356.9 8 | 0.3545 | 0.00310 | 1.8870 | c ↔ a | 15317.6 Z | ||||||
↳Barrow and Gissane, 1964; Barrow, Bastin, et al., 1967; Shenyavskaya, Mal'tsev, et al., 1967 | ||||||||||||
c 3Φ3 | a2 + 15316.8 8 | 570.4 Z | 2.96 | [0.3511] | [1.8961] | c ↔ a R | 15277.5 Z | |||||
↳Barrow and Gissane, 1964; Barrow, Bastin, et al., 1967; Shenyavskaya, Mal'tsev, et al., 1967 | ||||||||||||
c 3Φ2 | a1 + 15273.6 8 | [0.3490] | [1.9018] | c ↔ a | 15234.4 Z | |||||||
↳Barrow and Gissane, 1964; Barrow, Bastin, et al., 1967; Shenyavskaya, Mal'tsev, et al., 1967 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
B 1Π | 10735.49 | 586.25 Z | 2.015 | -0.0633 | 0.34310 9 | 0.00262 | 3.25E-5 | 1.9181 | B ↔ X R | 10661.25 Z | ||
↳McLeod and Weltner, 1966; Barrow, Bastin, et al., 1967; Barrow and Pedersen, 1971 | ||||||||||||
a 3Δ3 | a3 | 649.11 Z | 0.3706 | 0.00258 | 1.8456 | |||||||
a 3Δ2 8 | a2 10 | 648.98 Z | 3.03 | 0.3665 | 0.00254 | 1.8559 | ||||||
a 3Δ1 | a1 | 648.91 Z | 0.3623 | 0.00250 | 1.8666 | |||||||
X 1Σ+ | 0 11 | 735.6 Z | 3.8 | 0.3950 | 0.00266 | 1.7877 |
Notes
1 | Perturbations. |
2 | 0-0 sequence of V shaded absorption bands. Complex structure. |
3 | B values are for the f levels. |
4 | From Barrow, Gissane, et al., 1964; 34920.7 in Barrow, Bastin, et al., 1967 appears to be a misprint. |
5 | Λ-type doubling Δ vfe = +0.0021J(J+1). |
6 | Complex group of R shaded absorption bands. |
7 | Strong 0-0 sequence of V shaded bands. 13 |
8 | For a reassignment of molecular orbital configurations see Scott and Richards, 1974. |
9 | Λ-type doubling Δ vfe(v=0) = +1.115E-3J(J+1) - ...; Δ vfe(v=1) = 0.714E-3J(J+1) - ...; Δ vfe(v=2) = 0.452E-3J(J+1) - ...; Δ vfe(v=3) = 0.315E-3J(J+1) - ... |
10 | Theoretical calculations by Carlson and Moser, 1967 put the a 3Δ state at 461 cm-1 and the corresponding 1Δ state at 2612 cm-1 above X 1Σ+. |
11 | That X 1Σ+ is the ground state is strongly suggested by the fact that only B ← X, C ← X, and E ← X, but none of the triplet systems, were observed in matrix absorption at 4K McLeod and Weltner, 1966. |
12 | Thermochemical value (mass-spectrometry) Zmbov and Margrave, 1967. |
13 | The authors of Barrow, Bastin, et al., 1967 assume the bands to arise from a transition 3Δ ← a 3Δ with nearly equal coupling constants in both states. The upper state, then, has ωe = 724.7 Barrow, Bastin, et al., 1967, ωexe = 3.64 Barrow, Bastin, et al., 1967. The system was also observed in emission by Shenyavskaya, Mal'tsev, et al., 1967 who interpreted it as 3Π → 3Σ with ωe' = 591.0 Shenyavskaya, Mal'tsev, et al., 1967, ωe'xe' = 2.73 Shenyavskaya, Mal'tsev, et al., 1967, ωe" = 514.1 Shenyavskaya, Mal'tsev, et al., 1967, ωe"xe" = 1.98. Neither Barrow, Bastin, et al., 1967 nor Shenyavskaya, Mal'tsev, et al., 1967 give enough details. |
References
Go To: Top, 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.
Barrow, Bastin, et al., 1967
Barrow, R.F.; Bastin, M.W.; Moore, D.L.G.; Pott, C.J.,
Electronic states of gaseous fluorides of scandium, yttrium and lanthanum,
Nature (London), 1967, 215, 1072. [all data]
Barrow, 1979
Barrow,
In Rosen, 1970 cited in Huber and Herzberg, 1979, 1979, 579. [all data]
Gurvich and Shenyavskaya, 1963
Gurvich, L.V.; Shenyavskaya, E.A.,
The electronic spectrum of scandium monofluoride,
Opt. Spectrosc. Engl. Transl., 1963, 14, 161, In original 307. [all data]
Barrow, Gissane, et al., 1964
Barrow, R.F.; Gissane, W.J.M.; Le Bargy, R.C.; Rose, G.V.M.; Ross, P.A.,
Rotational analysis of some singlet transitions in the spectrum of gaseous scandium monofluoride,
Proc. Phys. Soc. London, 1964, 83, 889. [all data]
Shenyavskaya, Mal'tsev, et al., 1967
Shenyavskaya, E.A.; Mal'tsev, A.A.; Gurvich, L.V.,
The electronic-vibrational-rotational spectrum of the ScCl molecule and some additional data on the molecular constants of ScF, YF, and LaF,
Moscow Univ. Chem. Bull. Engl. Transl., 1967, 22, 66, In original 104. [all data]
McLeod and Weltner, 1966
McLeod, D., Jr.; Weltner, W., Jr.,
Spectroscopy and Franck-Condon factors of scandium fluoride in neon matrices at 4°K,
J. Phys. Chem., 1966, 70, 3293. [all data]
Barrow and Gissane, 1964
Barrow, R.F.; Gissane, W.J.M.,
The ground states of scandium and yttrium monofluorides,
Proc. Phys. Soc. London, 1964, 84, 615. [all data]
Barrow and Pedersen, 1971
Barrow, R.F.; Pedersen, L.,
Rotational analysis of the system B1Π-1Σ+ of gaseous ScF,
J. Phys. B:, 1971, 4, 11. [all data]
Scott and Richards, 1974
Scott, P.R.; Richards, W.G.,
A reassignment of melecular orbital configurations of the electronic states of ScF,
Chem. Phys. Lett., 1974, 28, 101. [all data]
Carlson and Moser, 1967
Carlson, K.D.; Moser, C.,
Electronic structure and ground state of scandium monofluoride,
J. Chem. Phys., 1967, 46, 35. [all data]
Zmbov and Margrave, 1967
Zmbov, K.F.; Margrave, J.L.,
Mass spectrometry at high temperatures. XVIII.The stabilities of the mono- and difluorides of scandium and yttrium,
J. Chem. Phys., 1967, 47, 3122. [all data]
Rosen, 1970
Rosen, B.,
International tables of selected constants. 17. Spectroscopic data relative to diatomic molecules, Pub. Pergamon Press, Oxford, 1970, 0. [all data]
Huber and Herzberg, 1979
Huber, K.P.; Herzberg, G.,
Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules, Van Nostrand Reinhold Company, New York, 1979, 716. [all data]
Notes
Go To: Top, Constants of diatomic molecules, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.