Bromomethylidyne
- Formula: CBr
- Molecular weight: 91.915
- IUPAC Standard InChI: InChI=1S/CHBr/c1-2/h1H
- IUPAC Standard InChIKey: PRCFIJGWTCBHPP-UHFFFAOYSA-N
- CAS Registry Number: 3889-77-8
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics data, Constants of diatomic molecules, NIST Free Links, 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 | 510.45 | kJ/mol | Review | Chase, 1998 | Data last reviewed in June, 1967 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 233.47 | J/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1967 |
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 (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. - 6000. |
|---|---|
| A | 38.27787 |
| B | -0.287543 |
| C | 0.158071 |
| D | -0.011188 |
| E | -0.184630 |
| F | 498.4274 |
| G | 278.8372 |
| H | 510.4480 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in June, 1967 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Constants of diatomic molecules, NIST Free Links, References, Notes
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
View reactions leading to CBr+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.43 ± 0.02 | EI | Reed and Snedden, 1958 | RDSH |
Constants of diatomic molecules
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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: Klaus P. Huber and Gerhard H. Herzberg
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| A2 2Δ5/2 | 1 | 2 | [0.4956] | [0.0000012] | [1.815] 3 | A2 ← X2 V | 32753.1 Z | |||||
| ↳Simons and Yarwood, 1961; missing citation | ||||||||||||
| 2 | [1.815] 3 | (A2 ← X1) | (33218.4) H | |||||||||
| ↳Simons and Yarwood, 1961; missing citation | ||||||||||||
| A1 2Δ3/2 | 2 | 4 | (A1 ← X2) | (32699.1) H | ||||||||
| ↳Simons and Yarwood, 1961; missing citation | ||||||||||||
| 2 | A1 ← X1 5 | 33163.5 | ||||||||||
| ↳Simons and Yarwood, 1961; missing citation | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
| X2 2Π3/2 | 6 | 2 | [0.4877] | [0.0000006] | [1.823] 7 | |||||||
| X1 2Π1/2 | 0 | 2 | [1.823] 7 | |||||||||
Notes
| 1 | A0 = +28. |
| 2 | ΔG"(1/2) - ΔG'(1/2) = +93.7 (F1) and ΔG"(1/2) - ΔG'(1/2)= +82.8 (F2). |
| 3 | From the "true" B0 = 0.4912. |
| 4 | Both v=0 and v=l of A1 are predissociated. |
| 5 | Undegraded diffuse band. |
| 6 | A0= +466. |
| 7 | From the "true" B0 = 0.4872. |
| 8 | From the predissociation in A1 2Δ3/2(v=0). Study of flame reactions Miller and Palmer, 1964 suggests 2.86 eV. |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, NIST Free Links, 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]
Reed and Snedden, 1958
Reed, R.I.; Snedden, W.,
Studies in electron impact methods. Part 2. The latent heat of sublimation of carbon,
J. Chem. Soc. Faraday Trans., 1958, 54, 301. [all data]
Simons and Yarwood, 1961
Simons, J.P.; Yarwood, A.J.,
Decomposition of hot radicals. Part 1. The production of CCl and CBr from halogen-substituted methyl radicals,
Trans. Faraday Soc., 1961, 57, 2167. [all data]
Miller and Palmer, 1964
Miller, W.J.; Palmer, H.B.,
Chemiluminescence and radical reactions in diffusion flames of alkali metals with organic halides,
J. Chem. Phys., 1964, 40, 3701. [all data]
Notes
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- 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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