Titanium fluoride oxide (TiF2O)
- Formula: F2OTi
- Molecular weight: 101.863
- CAS Registry Number: 13537-16-1
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Gas 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°gas | -221.05 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1963 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 68.007 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1963 |
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 6000. |
|---|---|
| A | 18.85220 |
| B | 0.857466 |
| C | -0.230421 |
| D | 0.019562 |
| E | -0.376137 |
| F | -227.9680 |
| G | 88.45961 |
| H | -221.0500 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in September, 1963 |
Vibrational and/or electronic energy levels
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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: Marilyn E. Jacox
State: X
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| a1 | 1 | TiO stretch | 1013.6 | Ar | IR | Gong, Andrews, et al., 2012 | |
| 2 | TiF2 s-stretch | 632.3 | Ar | IR | Gong, Andrews, et al., 2012 | ||
| b2 | 5 | TiF2 a-stretch | 740.2 | Ar | IR | Gong, Andrews, et al., 2012 | |
References
Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, 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]
Gong, Andrews, et al., 2012
Gong, Y.; Andrews, L.; Bauschlicher, C.W., Jr.; Thanthiriwatte, K.S.; Dixon, D.A.,
Infrared spectroscopic and theoretical studies of the OTiF2, OZrF2 and OHfF2 molecules with terminal oxo ligands,
Dalton Trans., 2012, 41, 38, 11706, https://doi.org/10.1039/c2dt31223a
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, 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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