Iron chloride
- Formula: ClFe
- Molecular weight: 91.298
- CAS Registry Number: 27846-09-9
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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 | 60.000 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1965 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 61.568 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1965 |
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 | 9.540032 |
B | 0.063305 |
C | -0.015823 |
D | 0.001554 |
E | -0.035387 |
F | 57.03411 |
G | 72.89601 |
H | 60.00010 |
Reference | Chase, 1998 |
Comment | Data last reviewed in June, 1965 |
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, 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|
Diffuse absorption feature in the region 41700 - 42700 cm-1. | ||||||||||||
↳Brinton and Callear, 1974 | ||||||||||||
C (4Π) 1 | (C ↔ X1) R | 31255.9 H | ||||||||||
↳Mesnage, 1935; Miescher, 1938; Muller, 1943; Rao and Rao, 1969; Rao and Rao, 1971 | ||||||||||||
C (4Π) | (C ↔ X1) R | 31243.2 H | ||||||||||
↳Mesnage, 1935; Miescher, 1938; Muller, 1943; Rao and Rao, 1969; Rao and Rao, 1971 | ||||||||||||
(C ↔ X1) R | 31221.2 H | |||||||||||
↳Mesnage, 1935; Miescher, 1938; Muller, 1943; Rao and Rao, 1969; Rao and Rao, 1971 | ||||||||||||
(C ↔ X1) R | 31180.8 H | |||||||||||
↳Mesnage, 1935; Miescher, 1938; Muller, 1943; Rao and Rao, 1969; Rao and Rao, 1971 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
B (6Π) | x2 + 29255.9 | 434.8 H | 2.1 | B ↔ X2 V | 29269.5 H | |||||||
↳Miescher, 1938; Mesnage, 1939; missing citation | ||||||||||||
x2 + 29184 | B ↔ X2 V | 29197.2 H | ||||||||||
↳Miescher, 1938; Mesnage, 1939; missing citation | ||||||||||||
x2 + 29120 | B ↔ X2 V | 29133.5 H | ||||||||||
↳Miescher, 1938; Mesnage, 1939; missing citation | ||||||||||||
x2 + 29065 | B ↔ X2 V | 29079.1 H | ||||||||||
↳Miescher, 1938; Mesnage, 1939; missing citation | ||||||||||||
x2 + 29021 | B ↔ X2 V | 29034.6 H | ||||||||||
↳Miescher, 1938; Mesnage, 1939; missing citation | ||||||||||||
x2 + 28986 | B ↔ X2 V | 28999.7 H | ||||||||||
↳Miescher, 1938; Mesnage, 1939; missing citation | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
A (4Π) | x1 + 28016 | (427.8) 2 H | (1.2) | A ↔ X1 V | 28024.7 H | |||||||
↳Muller, 1943; Rao and Rao, 1971 | ||||||||||||
x1 + 27958 | 427.8 | 1.2 | A ↔ X1 V | 27967.3 H | ||||||||
↳Muller, 1943; Rao and Rao, 1971 | ||||||||||||
x1 + 27922 | 427.8 | 1.2 | A ↔ X1 V | 27931.4 H | ||||||||
↳Muller, 1943; Rao and Rao, 1971 | ||||||||||||
x1+27894 | 427.8 | 1.2 | A ↔ X1 V | 27903.2 H | ||||||||
↳Muller, 1943; Rao and Rao, 1971 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
A' (4Π) 3 | A' → X1 R | 20549.3 H | ||||||||||
↳Reddy and Rao, 1960 | ||||||||||||
A' (4Π) | A' → X1 R | 20484.5 H | ||||||||||
↳Reddy and Rao, 1960 | ||||||||||||
A' → X1 R | 20429.0 H | |||||||||||
↳Reddy and Rao, 1960 | ||||||||||||
A' → X1 R | 20378.0 H | |||||||||||
↳Reddy and Rao, 1960 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
V | 17379 | |||||||||||
↳Reddy and Rao, 1960 | ||||||||||||
V | (16486) | |||||||||||
↳Mesnage, 1939; Reddy and Rao, 1960 | ||||||||||||
VR | (15443) | |||||||||||
↳Mesnage, 1939; Reddy and Rao, 1960; Rao, Rao, et al., 1970 | ||||||||||||
X2 (6Σ) | x2 4 | 407.2 H | 1.4 | |||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
X1 (4Σ) | x1 4 | (409.9) 2 H | (2.2) |
Notes
1 | Fragments of a complex system; ΔG'(1/2) = 416 cm-1, ΔG"(1/2) = 427 cm-1 |
2 | Vibrationa1 constants from Rao and Rao, 1971. An earlier analysis of A-X1 gave ωe'= 431.0, ωe'xe'= 2.9, ωe"= 397.0, ωe"xe"= 1.6 Muller, 1943. |
3 | Complex system in the region 20000 - 21000 cm-1; ω' = 370 cm-1, ω" = 395 cm-1. |
4 | It is not certain whether X1 or X2 is the ground state. |
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]
Brinton and Callear, 1974
Brinton, R.K.; Callear, A.B.,
Chemical rearrangement in the reaction of Fe+ with SF6-. New spectra of iron halides,
J. Chem. Soc. Faraday Trans. 2, 1974, 70, 203. [all data]
Mesnage, 1935
Mesnage, P.,
Sur les spectres d'emission moleculaires de quelques sels metalliques,
Compt. Rend., 1935, 201, 389. [all data]
Miescher, 1938
Miescher, E.,
Helv. Phys. Acta, 1938, 11, 463. [all data]
Muller, 1943
Muller, W.,
Terme hoher multiplizitat in molekulspektren,
Helv. Phys. Acta, 1943, 16, 3-32. [all data]
Rao and Rao, 1969
Rao, D.V.K.; Rao, P.T.,
High multiplicity electronic transitions in the spectrum of FeCl,
Curr. Sci., 1969, 38, 87. [all data]
Rao and Rao, 1971
Rao, D.V.K.; Rao, P.T.,
Complex band spectrum of FeCl in the ultraviolet region,
Indian J. Pure Appl. Phys., 1971, 9, 102. [all data]
Mesnage, 1939
Mesnage, P.,
Recherches sur les decharges de haute frequence et leur application a la spectroscopie moleculaire,
Ann. Phys. (Paris), 1939, 12, 5. [all data]
Reddy and Rao, 1960
Reddy, S.P.; Rao, P.T.,
The spectrum of iron monochloride in the visible,
J. Mol. Spectrosc., 1960, 4, 16. [all data]
Rao, Rao, et al., 1970
Rao, N.V.K.; Rao, D.V.K.; Rao, P.T.,
The spectrum of FeCl in the red,
Curr. Sci., 1970, 39, 392. [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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