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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Constants of diatomic molecules
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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: 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, 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.
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]
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]
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, Constants of diatomic molecules, References
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