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titanium tetrabromide


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
Deltafgas-131.50kcal/molReviewChase, 1998Data last reviewed in June, 1968
Quantity Value Units Method Reference Comment
gas,1 bar95.263cal/mol*KReviewChase, 1998Data last reviewed in June, 1968

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) 1000. - 6000.
A 25.72930
B 0.089186
C -0.024203
D 0.002067
E -0.151258
F -139.6820
G 125.5240
H -131.5000
ReferenceChase, 1998
Comment Data last reviewed in June, 1968

Condensed 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
Deltafliquid-144.68kcal/molReviewChase, 1998Data last reviewed in June, 1968
Quantity Value Units Method Reference Comment
liquid,1 bar67.918cal/mol*KReviewChase, 1998Data last reviewed in June, 1968
Quantity Value Units Method Reference Comment
Deltafsolid-147.70kcal/molReviewChase, 1998Data last reviewed in June, 1968
Quantity Value Units Method Reference Comment
solid58.243cal/mol*KReviewChase, 1998Data last reviewed in June, 1968

Liquid 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) 311.4 - 1000.
A 36.30000
B 0.000000
C 0.000000
D 0.000000
E 0.000000
F -155.5040
G 111.8470
H -144.6810
ReferenceChase, 1998
Comment Data last reviewed in June, 1968

Solid 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. - 311.4
A 35.03389
B -7.589589
C 6.550091
D -1.887550
E -0.152517
F -158.3690
G 101.7710
H -147.7000
ReferenceChase, 1998
Comment Data last reviewed in June, 1968

Phase change 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: William E. Acree, Jr., James S. Chickos

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Reference Comment
14.9294.Seki, 1941Based on data from 283. - 306. K.

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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
10.59PEEgdell and Orchard, 1978Vertical value; LLK
10.55PEBurroughs, Evans, et al., 1974Vertical value; LLK
10.56PEGreen, Green, et al., 1970Vertical value; RDSH

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 sigma = 12


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

a1 1 Sym str 232  B  ia 231.5 gas
e 2 Deg deform 69  B  ia 68.5 gas
f2 3 Deg str 393  C 383 VS liq. 393 gas
f2 4 Deg deform 88  C 88 gas

Source: Shimanouchi, 1972

Notes

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

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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]

Seki, 1941
Seki, S., J. Chem. Soc. Jpn., 1941, 62, 789. [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]

Burroughs, Evans, et al., 1974
Burroughs, P.; Evans, S.; Hamnett, A.; Orchard, A.F.; Richardson, N.V., He-I photoelectron spectra of some d (0) transition metal compounds, J. Chem. Soc. Faraday Trans. 2, 1974, 70, 1895. [all data]

Green, Green, et al., 1970
Green, J.C.; Green, M.L.H.; Joachim, P.J.; Orchard, A.F.; Turner, D.W., A study of the bonding in the group IV tetrahalides by photoelectron spectroscopy, Phil. Trans. Roy. Soc. (London), 1970, A268, III. [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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