Zirconium chloride
- Formula: ClZr
- Molecular weight: 126.677
- CAS Registry Number: 14989-34-5
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Gas phase thermochemistry data
Go To: Top, 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 | 49.099 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1969 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 60.782 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1969 |
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) | 298. to 1600. | 1600. to 6000. |
|---|---|---|
| A | 8.946109 | 11.69200 |
| B | -1.008040 | -0.542403 |
| C | 2.317660 | 0.085767 |
| D | -0.768396 | -0.004050 |
| E | -0.041176 | -2.364761 |
| F | 46.32029 | 41.67249 |
| G | 71.58031 | 70.90330 |
| H | 49.10000 | 49.10000 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in December, 1969 | Data last reviewed in December, 1969 |
Constants of diatomic molecules
Go To: Top, Gas phase thermochemistry 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| System A: 1 | R | 35231.7 H | ||||||||||
| ↳missing citation | ||||||||||||
| System A: | R | 34816.4 H | ||||||||||
| ↳missing citation | ||||||||||||
| R | 34354.6 H | |||||||||||
| ↳missing citation | ||||||||||||
| System B: 2 | (26918) | |||||||||||
| ↳missing citation | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
| System C: 3 | R | 24704.6 H | ||||||||||
| ↳missing citation | ||||||||||||
| System C: | R | 24530.4 H | ||||||||||
| ↳missing citation | ||||||||||||
| R | 24343.8 H | |||||||||||
| ↳missing citation | ||||||||||||
| R | (24155) | |||||||||||
| ↳missing citation | ||||||||||||
Notes
| 1 | Three 0-0 sequences (ω'-ω" ~ +15) of line-like heads. Ω'=1/2,3/2,5/2 → 4Σ ? |
| 2 | Very complex system of R and V shaded band heads in the region 26300 - 27600 cm-1; in emission. |
| 3 | Four 0-0 sequences (ω'-ω" ~ +8) of complex structure. 4Π → 4Σ ? |
References
Go To: Top, Gas phase thermochemistry 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]
Notes
Go To: Top, Gas phase thermochemistry data, Constants of diatomic molecules, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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