Acetylene-d2
- Formula: C2D2
- Molecular weight: 28.0496
- CAS Registry Number: 1070-74-2
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Gas phase ion energetics data
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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 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
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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: 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, NIST Free Links, 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
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- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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