Iron chloride

Formula: ClFe
Molecular weight: 91.298
CAS Registry Number: 27846-09-9
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Constants of diatomic molecules

Data compiled by: Klaus P. Huber and Gerhard H. Herzberg

Data collected through March, 1976

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 ⁽⁵⁶⁾Fe³⁵Cl
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	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
C (⁴Π) 1	↳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	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	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	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	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	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
A' (⁴Π) 3											A' → X₁ R	20549.3 H
A' (⁴Π) 3	↳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	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
										V	17379
↳Reddy and Rao, 1960
										V	(16486)
↳Mesnage, 1939; Reddy and Rao, 1960
										V_R	(15443)
↳Mesnage, 1939; Reddy and Rao, 1960; Rao, Rao, et al., 1970
X₂ (⁶Σ)	x₂ 4	407.2 H	1.4
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
X₁ (⁴Σ)	x₁ 4	(409.9) 2 H	(2.2)

Notes

Fragments of a complex system; ΔG'(1/2) = 416 cm^-1, ΔG"(1/2) = 427 cm^-1

Vibrationa1 constants from Rao and Rao, 1971. An earlier analysis of A-X₁ gave ω_e'= 431.0, ω_e'x_e'= 2.9, ω_e"= 397.0, ω_e"x_e"= 1.6 Muller, 1943.

Complex system in the region 20000 - 21000 cm^-1; ω' = 370 cm^-1, ω" = 395 cm^-1.

It is not certain whether X₁ or X₂ is the ground state.

References

Go To: Top, Constants of diatomic molecules, Notes

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

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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