Acetylene-d2
- Formula: C2D2
- Molecular weight: 28.0496
- CAS Registry Number: 1070-74-2
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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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
LL - Sharon G. Lias and Joel F. Liebman
View reactions leading to C2D2+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 11.2 ± 0.1 | EI | Reeher, Flesch, et al., 1976 | LLK |
| 11.404 ± 0.005 | PI | Dibeler and Walker, 1973 | LLK |
| 18.44 ± 0.01 | PE | Baker and Turner, 1968 | RDSH |
| 11.40 ± 0.01 | PE | Baker and Turner, 1968 | RDSH |
| 11.416 ± 0.006 | PI | Dibeler and Reese, 1964 | RDSH |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| CD+ | 20.47 ± 0.02 | CD | EI | Davister and Locht, 1995 | LL |
| C2+ | 18.5 ± 0.2 | D2 | EI | Locht and Davister, 1995 | LL |
| C2+ | 23.6 | 2D? | EI | Momigny and Derouane, 1968 | RDSH |
| C2D+ | 17.38 ± 0.11 | D | N/A | Davister and Locht, 1994 | LL |
| C2D+ | 17.44 ± 0.01 | D | PI | Dibeler, Walker, et al., 1973 | LLK |
| C2D+ | 17.34 | D | PI | Botter, Dibeler, et al., 1966 | RDSH |
| D+ | 19.3 ± 0.1 | C2D | EI | Davister and Locht, 1994 | LL |
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: D∞h Symmetry Number σ = 2
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| σg+ | 1 | CD str | 2701 | C | ia | 2700.5 S | gas | |||
| σg+ | 2 | CC str | 1762 | C | ia | 1762.4 S | gas | |||
| σu+ | 3 | CD str | 2439 | A | 2439.24 S | gas | ia | |||
| πg | 4 | CD bend | 505 | C | ia | OC(ν4+ν5) | ||||
| πu | 5 | CD bend | 537 | A | 536.9 VS | gas | ia | |||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| ia | Inactive |
| OC | Frequency estimated from an overtone or a combination tone indicated in the parentheses. |
| A | 0~1 cm-1 uncertainty |
| 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.
Reeher, Flesch, et al., 1976
Reeher, J.R.; Flesch, G.D.; Svec, H.J.,
The mass spectra and ionization potentials of the neutral fragments produced during the electron bombardment of aromatic compounds,
Org. Mass Spectrom., 1976, 11, 154. [all data]
Dibeler and Walker, 1973
Dibeler, V.H.; Walker, J.A.,
Photoionization of acetylene near threshold,
Int. J. Mass Spectrom. Ion Phys., 1973, 11, 49. [all data]
Baker and Turner, 1968
Baker, C.; Turner, D.W.,
High resolution molecular photoelectron spectroscopy. III.Acetylenes and azaacetylenes,
Proc. Roy. Soc. (London), 1968, A308, 19. [all data]
Dibeler and Reese, 1964
Dibeler, V.H.; Reese, R.M.,
Mass spectrometric study of photoionization. I. Apparatus and initial observations on acetylene, acetylene-d2, benzene, and benzene-d6,
J. Res. NBS, 1964, 68A, 409. [all data]
Davister and Locht, 1995
Davister, M.; Locht, R.,
The dissociative ionization of C2H2 and C2D2. The [CH(CD)]+ dissociation channel. The H(D)C≡C(D)H binding energy,
Chem. Phys., 1995, 191, 333. [all data]
Locht and Davister, 1995
Locht, R.; Davister, M.,
The dissociative ionization of C2H2. The C+, C2+, and CH2+ dissociation channels. The vinylidene ion as a transient?,
Chem. Phys., 1995, 195, 443. [all data]
Momigny and Derouane, 1968
Momigny, J.; Derouane, E.,
Fine structure in the first derivative of ionization curves obtained under electron impact,
Advan. Mass Spectrom., 1968, 4, 607. [all data]
Davister and Locht, 1994
Davister, M.; Locht, R.,
The dissociative electroionization of C2H2, C2D2 and C2HD. Investigation of the [C2H(D)]+ and [H(D)]+ dissociation channels. The (D)H-C2H(D) binding energy,
Chem. Phys., 1994, 189, 805. [all data]
Dibeler, Walker, et al., 1973
Dibeler, V.H.; Walker, J.A.; McCulloh, K.E.,
Observations on hot bands in the molecular and dissociative photoionization of acetylene and the heat of formation of the ethynyl ion,
J. Chem. Phys., 1973, 59, 2264. [all data]
Botter, Dibeler, et al., 1966
Botter, R.; Dibeler, V.H.; Walker, J.A.; Rosenstock, H.M.,
Experimental and theoretical studies of photoionization-efficiency curves for C2H2 and C2D2,
J. Chem. Phys., 1966, 44, 1271. [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
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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