Dibromosilane
- Formula: Br2H2Si
- Molecular weight: 189.909
- IUPAC Standard InChI: InChI=1S/Br2H2Si/c1-3-2/h3H2
- IUPAC Standard InChIKey: VJIYRPVGAZXYBD-UHFFFAOYSA-N
- CAS Registry Number: 13768-94-0
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Phase change data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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 | -45.500 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1976 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 74.101 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1976 |
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 1400. | 1400. to 6000. |
|---|---|---|
| A | 12.98940 | 24.94931 |
| B | 18.30220 | 0.443965 |
| C | -10.71240 | -0.082656 |
| D | 2.363160 | 0.005362 |
| E | -0.168574 | -2.785990 |
| F | -50.66219 | -59.23291 |
| G | 83.87199 | 95.92110 |
| H | -45.50000 | -45.50000 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in December, 1976 | Data last reviewed in December, 1976 |
Phase change 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.
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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| Temperature (K) | A | B | C | Reference | Comment |
|---|---|---|---|---|---|
| 212.3 to 343.7 | 4.10976 | 1312.752 | -24.478 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
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 |
|---|---|---|---|
| 10.7 | PE | Cradock and Whiteford, 1971 | LLK |
| 10.92 ± 0.02 | PE | Cradock and Whiteford, 1971 | Vertical value; LLK |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry data, Phase change 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: Takehiko Shimanouchi
Symmetry: C2ν Symmetry Number σ = 2
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a1 | 1 | SiH2 s-str | 2206 | D | 2200 S | gas | 2206 S p | liq. | ||
| a1 | 2 | SiH2 scis | 942 | C | 942 VS | gas | 925 W dp | liq. | ||
| a1 | 3 | SiBr2 s-str | 407 | C | 407 M | gas | 393 S p | liq. | ||
| a1 | 4 | SiBr2 scis | 122 | D | 122 M p | liq. | ||||
| a2 | 5 | SiH2 twist | 688 | D | ia | 688 W dp | liq. | |||
| b1 | 6 | SiH2 a-str | 2232 | D | 2200 S | gas | 2232 W dp | liq. | ||
| b1 | 7 | SiH2 rock | 556 | C | 556 S | gas | ||||
| b2 | 8 | SiH2 wag | 843 | C | 843 VS | gas | 828 VW dp | liq. | ||
| b2 | 9 | SiBr2 a-str | 471 | C | 471 S | gas | 456 W dp | liq. | ||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| VW | Very weak |
| ia | Inactive |
| p | Polarized |
| dp | Depolarized |
| C | 3~6 cm-1 uncertainty |
| D | 6~15 cm-1 uncertainty |
References
Go To: Top, Gas phase thermochemistry data, Phase change 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]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Cradock and Whiteford, 1971
Cradock, S.; Whiteford, R.A.,
Photo-electron spectra of the mono and dihalo silanes and germanes,
J. Chem. Soc. Faraday Trans., 1971, 67, 3425. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume II,
J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics 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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