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Iron chloride


Gas phase thermochemistry data

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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
Deltafgas60.000kcal/molReviewChase, 1998Data last reviewed in June, 1965
Quantity Value Units Method Reference Comment
gas,1 bar61.568cal/mol*KReviewChase, 1998Data 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. - 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
ReferenceChase, 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

Symbols used in the table of constants
SymbolMeaning
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)
Diatomic constants for (56)Fe35Cl
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
Diffuse absorption feature in the region 41700 - 42700 cm-1.
Brinton and Callear, 1974
C (4Pi) 1           (C lrarrow X1) R 31255.9 H
Mesnage, 1935; Miescher, 1938; Muller, 1943; Rao and Rao, 1969; Rao and Rao, 1971
C (4Pi)           (C lrarrow X1) R 31243.2 H
Mesnage, 1935; Miescher, 1938; Muller, 1943; Rao and Rao, 1969; Rao and Rao, 1971
           (C lrarrow X1) R 31221.2 H
Mesnage, 1935; Miescher, 1938; Muller, 1943; Rao and Rao, 1969; Rao and Rao, 1971
           (C lrarrow X1) R 31180.8 H
Mesnage, 1935; Miescher, 1938; Muller, 1943; Rao and Rao, 1969; Rao and Rao, 1971
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
B (6Pi) x2 + 29255.9 434.8 H 2.1        B lrarrow X2 V 29269.5 H
Miescher, 1938; Mesnage, 1939; missing citation
x2 + 29184          B lrarrow X2 V 29197.2 H
Miescher, 1938; Mesnage, 1939; missing citation
x2 + 29120          B lrarrow X2 V 29133.5 H
Miescher, 1938; Mesnage, 1939; missing citation
x2 + 29065          B lrarrow X2 V 29079.1 H
Miescher, 1938; Mesnage, 1939; missing citation
x2 + 29021          B lrarrow X2 V 29034.6 H
Miescher, 1938; Mesnage, 1939; missing citation
x2 + 28986          B lrarrow X2 V 28999.7 H
Miescher, 1938; Mesnage, 1939; missing citation
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
A (4Pi) x1 + 28016 (427.8) 2 H (1.2)        A lrarrow X1 V 28024.7 H
Muller, 1943; Rao and Rao, 1971
x1 + 27958 427.8 1.2        A lrarrow X1 V 27967.3 H
Muller, 1943; Rao and Rao, 1971
x1 + 27922 427.8 1.2        A lrarrow X1 V 27931.4 H
Muller, 1943; Rao and Rao, 1971
x1+27894 427.8 1.2        A lrarrow X1 V 27903.2 H
Muller, 1943; Rao and Rao, 1971
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
A' (4Pi) 3           A' rarrow X1 R 20549.3 H
Reddy and Rao, 1960
A' (4Pi)           A' rarrow X1 R 20484.5 H
Reddy and Rao, 1960
           A' rarrow X1 R 20429.0 H
Reddy and Rao, 1960
           A' rarrow X1 R 20378.0 H
Reddy and Rao, 1960
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
           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 (6Sigma) x2 4 407.2 H 1.4         
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
X1 (4Sigma) x1 4 (409.9) 2 H (2.2)         

Notes

1Fragments of a complex system; DeltaG'(1/2) = 416 cm-1, DeltaG"(1/2) = 427 cm-1
2Vibrationa1 constants from Rao and Rao, 1971. An earlier analysis of A-X1 gave omegae'= 431.0, omegae'xe'= 2.9, omegae"= 397.0, omegae"xe"= 1.6 Muller, 1943.
3Complex system in the region 20000 - 21000 cm-1; omega' = 370 cm-1, omega" = 395 cm-1.
4It 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