dilithium peroxide
- Formula: Li2O2
- Molecular weight: 45.881
- CAS Registry Number: 12031-80-0
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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 | -58.000 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1963 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 65.375 | 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 | 19.67900 |
| B | 0.164729 |
| C | -0.044646 |
| D | 0.003810 |
| E | -0.211055 |
| F | -64.58210 |
| G | 87.95619 |
| H | -58.00010 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in September, 1963 |
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°solid | -151.20 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1963 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid | 13.48 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1963 |
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 (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 2000. |
|---|---|
| A | 17.16000 |
| B | 11.61290 |
| C | 0.383024 |
| D | -0.204824 |
| E | -0.335082 |
| F | -157.9650 |
| G | 28.88939 |
| H | -151.2000 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in September, 1963 |
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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.9 ± 0.2 | EI | Wu, Kudo, et al., 1979 | LLK |
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 | |
|---|---|---|---|---|---|---|---|
| b1u | 4 | 297.5 | Ar | IR | Andrews, 1969 | ||
| b2u | 5 | 810.4 | Ne | IR | Wang and Andrews, 2009 | ||
| 5 | 796.0 | Ar | IR | Andrews, 1969 | |||
| 5 | 788.0 | Kr | IR | Andrews, 1969 | |||
| b3u | 6 | 455.1 | Ne | IR | Wang and Andrews, 2009 | ||
| 6 | 445.5 | Ar | IR | Andrews, 1969 | |||
| 6 | 441.0 | Kr | IR | Andrews, 1969 | |||
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics 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]
Wu, Kudo, et al., 1979
Wu, C.H.; Kudo, H.; Ihle, H.R.,
Thermochemical properties of gaseous Li3O and Li2O2,
J. Chem. Phys., 1979, 70, 1815. [all data]
Andrews, 1969
Andrews, L.,
Infrared Spectrum, Structure, Vibrational Potential Function, and Bonding in the Lithium Superoxide Molecule LiO2,
J. Chem. Phys., 1969, 50, 10, 4288, https://doi.org/10.1063/1.1670893
. [all data]
Wang and Andrews, 2009
Wang, X.; Andrews, L.,
Infrared spectra, structure and bonding in the LiO,
Mol. Phys., 2009, 107, 8-12, 739, https://doi.org/10.1080/00268970802526583
. [all data]
Notes
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- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) S°solid Entropy of solid at standard conditions ΔfH°gas Enthalpy of formation of gas 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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