Methane, dibromodichloro-
- Formula: CBr2Cl2
- Molecular weight: 242.725
- IUPAC Standard InChI: InChI=1S/CBr2Cl2/c2-1(3,4)5
- IUPAC Standard InChIKey: IHUREIPXVFKEDT-UHFFFAOYSA-N
- CAS Registry Number: 594-18-3
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Dibromodichloromethane; CCl2Br2; Carbon dibromide dichloride
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Gas phase ion energetics 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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.4 | PE | Bunzli, Frost, et al., 1976 | LLK |
| 10.67 ± 0.02 | PE | Bunzli, Frost, et al., 1976 | Vertical value; LLK |
Vibrational and/or electronic energy levels
Go To: Top, 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 | CCl2 s-str | 733 | C | 733 VS | liq. | 734 p | liq. | ||
| a1 | 2 | CBr2 s-str | 380 | C | 377 W | liq. | 380 p | liq. | ||
| a1 | 3 | CCl2 scis | 242 | C | 242 p | liq. | ||||
| a1 | 4 | CBr2 scis | 154 | C | 154 p | liq. | ||||
| a2 | 5 | CCl2 twist | 175 | C | ia | 175 dp | liq. | |||
| b1 | 6 | CBr2 a-str | 683 | C | 683 VS | liq. | 684 dp | liq. | ||
| b1 | 7 | CCl2 wag | 229 | C | 229 dp | liq. | ||||
| b2 | 8 | CCl2 a-str | 768 | C | 768 VS | liq. | 771 dp | liq. | ||
| b2 | 9 | CCl2 rock | 262 | C | 262 dp | liq. | ||||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| W | Weak |
| ia | Inactive |
| p | Polarized |
| dp | Depolarized |
| C | 3~6 cm-1 uncertainty |
References
Go To: Top, 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.
Bunzli, Frost, et al., 1976
Bunzli, J.C.; Frost, D.C.; Herring, F.G.; McDowell, C.A.,
Assignment of the doublet states arising from ionization of chlorine lone-pairs in molecules possessing C2v symmetry,
J. Electron Spectrosc. Relat. Phenom., 1976, 9, 289. [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 ion energetics data, Vibrational and/or electronic energy levels, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.