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titanium nitride


Condensed phase thermochemistry data

Go To: Top, Gas phase ion energetics data, Constants of diatomic molecules, References, Notes

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-265.81kJ/molReviewChase, 1998Data last reviewed in June, 1968
Quantity Value Units Method Reference Comment
liquid,1 bar52.68J/mol*KReviewChase, 1998Data last reviewed in June, 1968
Quantity Value Units Method Reference Comment
Deltafsolid-337.65kJ/molReviewChase, 1998Data last reviewed in June, 1968
Quantity Value Units Method Reference Comment
solid30.31J/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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 3220. - 4500.
A 70.43429
B -4.570727
C 1.005445
D -0.077511
E -8.247124
F -314.1736
G 105.4142
H -265.8133
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 (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. - 3220.
A 50.40716
B 0.596509
C 2.944759
D -0.305012
E -1.209679
F -356.7714
G 84.20049
H -337.6492
ReferenceChase, 1998
Comment Data last reviewed in June, 1968

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: H.M. Rosenstock, K. Draxl, B.W. Steiner, and J.T. Herron

Ionization energy determinations

IE (eV) Method Reference
6. ± 2.EIStearns and Kohl, 1970

Constants of diatomic molecules

Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics 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: K.P. Huber and G. Herzberg

Data collected through May, 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 48Ti14N
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
Additional bands in the region 30400 - 33800 cm-1; in absorption and emission.
Parkinson and Reeves, 1963
B 2Sigma     [0.5745]   [6.4E-7]  [1.6454] B rarrow X R 23487.3 Z
Bates, Ranieri, et al., 1976
A 2Pir 1 2   [0.6103] 3   [13E-7]  [1.5964] A rarrow X R 16197.25 4 Z
missing citation
X 2Sigma 0 2   [0.6211]   [13E-7]  [1.5825]  

Notes

1A0 = +156.70; slight J dependence.
20-0 sequence only; the R2 + Q21 and Q1 + R12 heads of the 0-0 band are at 16285.8 and 16125.8 cm-1, the corresponding heads of the 1-1 band at 16193.2 and 16035.2.
3Lambda-type doubling Deltav(2Pi1/2) = 0.037(J+1/2). Perturbations.
4Refers to the zero-point of the Hill-Van Vleck expression in the upper state. Dunn, Hanson, et al., 1970 give 16197.52, in poor agreement with our recalculated value 16197.21. We assume that the former is intended to be 16197.25.
5Thermochemical value (mass-spectrometry) Stearns and Kohl, 1970. See also Carlson, Claydon, et al., 1967, Gingerich, 1968.

References

Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics 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]

Stearns and Kohl, 1970
Stearns, C.A.; Kohl, F.J., The dissociation energy of gaseous titanium mononitride, High Temp. Sci., 1970, 2, 146. [all data]

Parkinson and Reeves, 1963
Parkinson, W.H.; Reeves, E.M., The spectrum of titanium nitride, Can. J. Phys., 1963, 41, 702. [all data]

Bates, Ranieri, et al., 1976
Bates, J.K.; Ranieri, N.L.; Dunn, T.M., Rotational analysis of the violet electronic emission spectrum of titanium nitride, Can. J. Phys., 1976, 54, 915. [all data]

Dunn, Hanson, et al., 1970
Dunn, T.M.; Hanson, L.K.; Rubinson, K.A., Rotational analysis of the red electronic emission system of titanium nitride, Can. J. Phys., 1970, 48, 1657. [all data]

Carlson, Claydon, et al., 1967
Carlson, K.D.; Claydon, C.R.; Moser, C., Electronic structure and ground-state properties of titanium mononitride, J. Chem. Phys., 1967, 46, 4963. [all data]

Gingerich, 1968
Gingerich, K.A., Gaseous metal nitrides. III. On the dissociation energy of thorium mononitride and predicted dissociation energies of diatomic group III-VI transition-metal nitrides, J. Chem. Phys., 1968, 49, 19. [all data]


Notes

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