zirconium tetrachloride

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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
Δfgas-869.98kJ/molReviewChase, 1998Data last reviewed in June, 1975
Quantity Value Units Method Reference Comment
gas,1 bar367.69J/mol*KReviewChase, 1998Data last reviewed in June, 1975

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. to 6000.
A 107.3761
B 0.608048
C -0.164909
D 0.014079
E -0.838515
F -904.8318
G 492.7413
H -869.9791
ReferenceChase, 1998
Comment Data last reviewed in June, 1975

Gas phase ion energetics 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.

Data compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
11.2PEEgdell and Orchard, 1978 
10.6EIPreiss, 1972 
11.94PEEgdell and Orchard, 1978Vertical value

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
ClZr+21.9?EIPreiss, 1972 
Cl2Zr+12.3?EIPreiss, 1972 
Cl2Zr+16.8?EIPreiss, 1972 

Vibrational and/or electronic energy levels

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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: Takehiko Shimanouchi

Symmetry:   Td     Symmetry Number σ = 12


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a1 1 Sym str 377  B 388 ia gas 377 VS p gas Estimated from combination bands
e 2 Deg deform 98  B 102 ia gas 98 gas Estimated from combination bands
f2 3 Deg str 418  C 421 gas 418 VW gas
f2 4 Deg deform 113  C 112 gas 113 gas Estimated from combination bands

Source: Shimanouchi, 1972

Notes

VSVery strong
VWVery weak
iaInactive
pPolarized
B1~3 cm-1 uncertainty
C3~6 cm-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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]

Egdell and Orchard, 1978
Egdell, R.G.; Orchard, A.F., Photoelectron spectra of the group IVA halides, J. Chem. Soc. Faraday Trans. 2, 1978, 74, 485. [all data]

Preiss, 1972
Preiss, H., Massenspektrometrische Untersuchungen an einigen Halogeniden der 5. Haupt- und Nebengruppe, Z. Anorg. Allg. Chem., 1972, 389, 280. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume II, J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]


Notes

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