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Zirconium 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
Deltafgas205.43kJ/molReviewChase, 1998Data last reviewed in December, 1969
Quantity Value Units Method Reference Comment
gas,1 bar254.31J/mol*KReviewChase, 1998Data last reviewed in December, 1969

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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. - 1600.1600. - 6000.
A 37.4305248.91933
B -4.217639-2.269414
C 9.6970900.358848
D -3.214970-0.016945
E -0.172282-9.894157
F 193.8041174.3577
G 299.4920296.6594
H 205.4344205.4344
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1969 Data last reviewed in December, 1969

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 July, 1975

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 (90)Zr(35)Cl
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
System A: 1           R 35231.7 H
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System A:           R 34816.4 H
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           R 34354.6 H
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System B: 2            (26918)
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StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
System C: 3           R 24704.6 H
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System C:           R 24530.4 H
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           R 24343.8 H
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           R (24155)
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Notes

1Three 0-0 sequences (omega'-omega" ~ +15) of line-like heads. Omega'=1/2,3/2,5/2 rarrow 4Sigma ?
2Very complex system of R and V shaded band heads in the region 26300 - 27600 cm-1; in emission.
3Four 0-0 sequences (omega'-omega" ~ +8) of complex structure. 4Pi rarrow 4Sigma ?

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]


Notes

Go To: Top, Gas phase thermochemistry data, Constants of diatomic molecules, References