zirconium nitride
- Formula: NZr
- Molecular weight: 105.231
- CAS Registry Number: 25658-42-8
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, 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°gas | 713.37 | kJ/mol | Review | Chase, 1998 | Data last reviewed in June, 1961 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 233.43 | J/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1961 |
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 |
|---|---|---|---|---|---|
| ΔfH°liquid | -290.75 | kJ/mol | Review | Chase, 1998 | Data last reviewed in June, 1961 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid,1 bar | 62.31 | J/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1961 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔfH°solid | -365.26 | kJ/mol | Review | Chase, 1998 | Data last reviewed in June, 1961 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid | 38.83 | J/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1961 |
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) | 3225. to 6000. |
|---|---|
| A | 58.57600 |
| B | 1.133430×10-7 |
| C | -2.223232×10-8 |
| D | 1.494542×10-9 |
| E | 2.479561×10-7 |
| F | -316.8501 |
| G | 118.2633 |
| H | -290.7495 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in June, 1961 |
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 3225. |
|---|---|
| A | 46.45788 |
| B | 7.006317 |
| C | 0.007791 |
| D | -0.000719 |
| E | -0.720527 |
| F | -381.8565 |
| G | 88.90498 |
| H | -365.2632 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in June, 1961 |
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:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.9 ± 0.4 | EI | Gingerich, 1968 | RDSH |
Constants of diatomic molecules
Go To: Top, Gas phase thermochemistry data, 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 July, 1975
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| A 2Πr | 1 | [0.4798] | [1.7029] | A → X 2 | 17701.8 H | |||||||
| ↳Bates and Dunn, 1972 | ||||||||||||
| 1 | [0.4798] | [1.7029] | A → X 2 | 17133.0 H | ||||||||
| ↳Bates and Dunn, 1972 | ||||||||||||
| X 2Σ | 0 | [0.4832] | [1.6969] | |||||||||
Notes
| 1 | A0 ~ +567. |
| 2 | Perturbations. |
| 3 | Thermochemical value (mass-spectrometry) Gingerich, 1968. |
References
Go To: Top, Gas phase thermochemistry data, 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]
Gingerich, 1968
Gingerich, K.A.,
Gaseous metal nitrides. II. The dissociation energy, heat of sublimation, and heat of formation of zirconium mononitride,
J. Chem. Phys., 1968, 49, 14. [all data]
Bates and Dunn, 1972
Bates, J.K.; Dunn, T.M.,
Abstract of paper SIGMA8 presented at the 27th Symposium on Molecular Structure and Spectra (reference not verified), Department of Chemistry, University of Michigan, Ann Arbor, Columbus, Ohio, 1972, 1. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) S°liquid,1 bar Entropy of liquid at standard conditions (1 bar) S°solid Entropy of solid at standard conditions ΔfH°gas Enthalpy of formation of gas 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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