Acetylene, bromo-
- Formula: C2HBr
- Molecular weight: 104.933
- IUPAC Standard InChI: InChI=1S/C2HBr/c1-2-3/h1H
- IUPAC Standard InChIKey: RUEKPBLTWGFBOD-UHFFFAOYSA-N
- CAS Registry Number: 593-61-3
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, 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.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 269. ± 6.3 | kJ/mol | Ion | Okabe, 1975 |
Vibrational and/or electronic energy levels
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: Takehiko Shimanouchi
Symmetry: C∞ν Symmetry Number σ = 1
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| σ+ | 1 | CH str | 3325 | B | 3325 VS | gas | ||||
| σ+ | 2 | CC str | 2085 | B | 2085 VS | gas | ||||
| σ+ | 3 | CBr str | 618 | C | 618 VS | gas | SF(ν4) | |||
| π | 4 | CH bend | 618 | C | 618 VS | gas | SF(ν3) | |||
| π | 5 | CCBr bend | 295 | B | 295 W | gas | ||||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| W | Weak |
| SF | Calculation shows that the frequency approximately equals that of the vibration indicated in the parentheses. |
| B | 1~3 cm-1 uncertainty |
| C | 3~6 cm-1 uncertainty |
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.
Okabe, 1975
Okabe, H.,
Photodissociation of acetylene and bromoacetylene in the vacuum ultraviolet. Production of electronically excited ethynyl and ethynylene molecules,
J. Chem. Phys., 1975, 62, 2782-2787. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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