AsF radical
- Formula: AsF
- Molecular weight: 93.92000
- CAS Registry Number: 15120-13-5
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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, 1976
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|
d 1Π | [0.3989] 1 | [0.00000043] | [1.6698] | d → b V | 37032.07 Z | |||||||
↳Yee, Liu, et al., 1970; missing citation | ||||||||||||
d ↔ a V | 43628.60 Z | |||||||||||
↳Yee, Liu, et al., 1970; missing citation | ||||||||||||
d ← X1 V | 50686.43 Z | |||||||||||
↳Liu and Jones, 1972 | ||||||||||||
C (3Π) | C → X V | 49758 H | ||||||||||
↳Liu and Jones, 1972 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
c 1Π | 48672.5 | 817.30 Z | 4.39 | 0.4004 2 3 | 0.0027 | 4.0E-07 | 1.6667 | c → b V | 35083.56 Z | |||
↳Yee, Liu, et al., 1970; missing citation; Liu and Jones, 1972 | ||||||||||||
c ↔ a V | 41680.09 Z | |||||||||||
↳missing citation; missing citation | ||||||||||||
c ↔ X2 V | 48599 4 | |||||||||||
↳Liu and Jones, 1972 | ||||||||||||
c ↔ X1 V | 48737.92 Z | |||||||||||
↳missing citation | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
B 3Π | (48138) | 815.5 5 H | 3.96 6 | B ↔ X V | 48202.2 5 H | |||||||
↳missing citation | ||||||||||||
c' 1Π | 32479.5 | 399.38 Z | 1.34 | -0.015 | 0.2932 7 | 0.0018 | 0.00000062 | 1.948 | c' → b V | 18682.4 | ||
↳missing citation | ||||||||||||
c' → a V | 25278.88 Z | |||||||||||
↳missing citation | ||||||||||||
c' 1Π 8 | c' → X2 V | 32198 | ||||||||||
↳Chatalic, Danon, et al., 1973 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
A4 3Π2 | 27152 | 412.28 Z | 1.43 | -0.031 | 0.2918 | 0.0020 | 0.0000006 | 1.954 | A4 → X2 V | 26877.0 Z | ||
↳missing citation | ||||||||||||
A3 3Π1 | 26348 | 412.13 Z | 1.44 | -0.026 | 0.2920 9 | 0.0020 | A3 → X1 V | 26211.7 Z | ||||
↳missing citation | ||||||||||||
A2 3Π0+ | 25751 | (419.8) H | (0.2914) | (0.0018) | A2 → X2 V | 25480 | ||||||
↳Chatalic, Danon, et al., 1974 | ||||||||||||
A1 3Π0- | 25719 | 412.21 Z | 1.32 | -0.026 | 0.2904 | 0.0018 | A1 → X2 V | 25444.5 Z | ||||
↳missing citation | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
b 1Σ+ | 13648.6 | 697.34 Z | 3.08 | 0.3719 | 0.0028 | 0.00000047 | 1.7294 | b → X2 V | 13515.78 Z | |||
↳missing citation | ||||||||||||
b → X1 V | 13654.4 Z | |||||||||||
↳Liu and Jones, 1972 | ||||||||||||
a 1Δ | 7053.5 | 694.44 Z | 3.06 | 0.3707 | 0.0026 | 0.00000044 | 1.7322 | |||||
X2 3Σ- 1 | 138.7 | 685.50 HQ | 2.95 | 0.3691 10 11 | 0.0028 | 0.00000045 | 1.7360 10 | |||||
X1 3Σ- 0+ | 0 | 685.78 Z | 3.12 | 0.3648 12 11 | 0.0024 | 0.00000045 | 1.7360 10 |
Notes
1 | Predissociated near J = 30. |
2 | Λ-type doubling, Δνef ~ +0.00005J(J+1). |
3 | Predissociation in v=1 at J ~60; v=2 observed in absorption only. |
4 | Very weak band. |
5 | The vibrational analysis of Liu and Jones, 1972 assigns v=0 to the lowest level observed in emission. However, the 1-0 and 0-0 bands may have been observed in absorption Chatalic, Danon, et al., 1971 at 49001 and 48192 cm-1 [47192 in Chatalic, Danon, et al., 1971 seems to be a misprint] as members of a strong upper state progression which begins at 47381 cm-1 and may even include a diffuse band at 46570 cm-1. No details. |
6 | Very complicated rotational structure. |
7 | Λ-type doubling, Δνef ~ +0.000015J(J+1). |
8 | Fragments of a system |
9 | Small Λ-type doubling. |
10 | Be and re from the f component;Δνef = + 0.0035J(J+1). |
11 | For a more detailed discussion of the X 3Σ- (0+,1) fine structure see Veseth, 1973. |
12 | Effective value. |
13 | Theoretical calculations, for D00 supported by limited experimental data; see O'Hare, Batana, et al., 1973. The same paper gives theoretical values for the electron affinity (1.1 eV) and dipole moment (1.75 D) of AsF. |
14 | Long 0-0 sequence of V shaded Q heads; R, P branches undegraded. |
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.
Yee, Liu, et al., 1970
Yee, K.K.; Liu, D.S.; Jones, W.E.,
Vibrational analysis of the singlet systems of AsF,
J. Mol. Spectrosc., 1970, 35, 153. [all data]
Liu and Jones, 1972
Liu, D.S.; Jones, W.E.,
The spectrum of AsF in the near vacuum ultraviolet and near infrared regions,
Can. J. Phys., 1972, 50, 1230. [all data]
Chatalic, Danon, et al., 1973
Chatalic, A.; Danon, N.; Iacocca, D.; Pannetier, G.,
Etude des etats electroniques du monofluorure d'arsenic de configuration σπ. I. L'etat c'1Π,
J. Chim. Phys. Phys.-Chim. Biol., 1973, 70, 1600. [all data]
Chatalic, Danon, et al., 1974
Chatalic, A.; Danon, N.; Pannetier, G.,
Etude des etats electroniques du monofluorure d'arsenic de configuration σπ. II. L'etat A3Π,
J. Chim. Phys. Phys.-Chim. Biol., 1974, 71, 243. [all data]
Chatalic, Danon, et al., 1971
Chatalic, A.; Danon, N.; Pannetier, G.,
Analyses du spectre d'absorption et de deux nouveaux systemes singulets du monofluorure d'arsenic.,
C.R. Acad. Sci. Paris, Ser. C, 1971, 273, 874. [all data]
Veseth, 1973
Veseth, L.,
Hund's coupling case (c) in diatomic molecules. II. Examples,
J. Phys. B:, 1973, 6, 1484. [all data]
O'Hare, Batana, et al., 1973
O'Hare, P.A.G.; Batana, A.; Wahl, A.C.,
Arsenic monofluoride (AsF,3Σ): dissociation enthalpy, ionization potential, electron affinity, dipole moment, spectroscopic constants, and ideal gas thermodynamic functions from a Hartree-Fock molecular orbital investigation,
J. Chem. Phys., 1973, 59, 6495. [all data]
Notes
Go To: Top, Constants of diatomic molecules, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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