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Acetylene-d2


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 ± 0.1EIReeher, Flesch, et al., 1976LLK
11.404 ± 0.005PIDibeler and Walker, 1973LLK
18.44 ± 0.01PEBaker and Turner, 1968RDSH
11.40 ± 0.01PEBaker and Turner, 1968RDSH
11.416 ± 0.006PIDibeler and Reese, 1964RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CD+20.47 ± 0.02CDEIDavister and Locht, 1995LL
C2+18.5 ± 0.2D2EILocht and Davister, 1995LL
C2+23.62D?EIMomigny and Derouane, 1968RDSH
C2D+17.38 ± 0.11DN/ADavister and Locht, 1994LL
C2D+17.44 ± 0.01DPIDibeler, Walker, et al., 1973LLK
C2D+17.34DPIBotter, Dibeler, et al., 1966RDSH
D+19.3 ± 0.1C2DEIDavister and Locht, 1994LL

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:   Dinftyh     Symmetry Number sigma = 2


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

«sigma»g+ 1 CD str 2701  C  ia 2700.5 S gas
«sigma»g+ 2 CC str 1762  C  ia 1762.4 S gas
«sigma»u+ 3 CD str 2439  A 2439.24 S gas  ia
«pi»g 4 CD bend 505  C  ia OC(«nu»4+«nu»5)
«pi»u 5 CD bend 537  A 536.9 VS gas  ia

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
iaInactive
OCFrequency estimated from an overtone or a combination tone indicated in the parentheses.
A0~1 cm-1 uncertainty
C3~6 cm-1 uncertainty

References

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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«equiv»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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