Methyl isocyanide-d3
- Formula: C2D3N
- Molecular weight: 44.0704
- CAS Registry Number: 917-96-4
- Information on this page:
- Options:
Gas phase ion energetics data
Go To: Top, Vibrational and/or electronic energy levels, 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 by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 11.25 | PE | Lake and Thompson, 1971 |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase ion energetics data, 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 by: Takehiko Shimanouchi
Symmetry: C3ν Symmetry Number σ = 3
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a1 | 1 | CD3 s-str | 2251 | B | 2250.6 W | gas | ||||
| a1 | 2 | NC str | 2165 | B | 2165.0 W | gas | ||||
| a1 | 3 | CD3 s-deform | 1117 | B | 1117.4 W | gas | ||||
| a1 | 4 | CN str | 877 | B | 876.7 M | gas | ||||
| e | 5 | CD3 d-str | 2263 | B | 2262.9 S | gas | ||||
| e | 6 | CD3 d-deform | 1058 | B | 1058.2 S | gas | ||||
| e | 7 | CD3 rock | 900 | B | 900.1 S | gas | ||||
| e | 8 | CNC bend | 249 | C | OC(ν2+ν8) | |||||
Source: Shimanouchi, 1972
Notes
| S | Strong |
| M | Medium |
| W | Weak |
| OC | Frequency estimated from an overtone or a combination tone indicated in the parentheses. |
| B | 1~3 cm-1 uncertainty |
| C | 3~6 cm-1 uncertainty |
References
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Lake and Thompson, 1971
Lake, R.F.; Thompson, H.W.,
The photoelectron spectra of methyl isocyanide and trideuteromethyl isocyanide,
Spectrochim. Acta, 1971, 27A, 783. [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, NIST Free Links, 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.