titanium nitride
- Formula: NTi
- Molecular weight: 61.874
- IUPAC Standard InChI: InChI=1S/N.Ti
- IUPAC Standard InChIKey: NRTOMJZYCJJWKI-UHFFFAOYSA-N
- CAS Registry Number: 25583-20-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Titanium mononitride
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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 |
|---|---|---|---|---|---|
| ΔfH°liquid | -265.81 | kJ/mol | Review | Chase, 1998 | Data last reviewed in June, 1968 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid,1 bar | 52.68 | J/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1968 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔfH°solid | -337.65 | kJ/mol | Review | Chase, 1998 | Data last reviewed in June, 1968 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid | 30.31 | J/mol*K | Review | Chase, 1998 | Data 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. to 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 |
| Reference | Chase, 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. to 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 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in June, 1968 |
Gas phase ion energetics data
Go To: Top, Condensed phase thermochemistry 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.
Data compiled by: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 6. ± 2. | EI | Stearns 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: Klaus P. Huber and Gerhard H. Herzberg
Data collected through May, 1976
| Symbol | Meaning |
|---|---|
| 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) |
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Additional bands in the region 30400 - 33800 cm-1; in absorption and emission. | ||||||||||||
| ↳Parkinson and Reeves, 1963 | ||||||||||||
| B 2Σ | [0.5745] | [6.4E-7] | [1.6454] | B → X R | 23487.3 Z | |||||||
| ↳Bates, Ranieri, et al., 1976 | ||||||||||||
| A 2Πr | 1 | 2 | [0.6103] 3 | [13E-7] | [1.5964] | A → X R | 16197.25 4 Z | |||||
| ↳missing citation | ||||||||||||
| X 2Σ | 0 | 2 | [0.6211] | [13E-7] | [1.5825] | |||||||
Notes
| 1 | A0 = +156.70; slight J dependence. |
| 2 | 0-0 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. |
| 3 | Λ-type doubling Δv(2Π1/2) = 0.037(J+1/2). Perturbations. |
| 4 | Refers 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. |
| 5 | Thermochemical 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
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, References
- Symbols used in this document:
S°liquid,1 bar Entropy of liquid at standard conditions (1 bar) S°solid Entropy of solid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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