Acetylene, diiodo-

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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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
9.02 ± 0.01PEKlapstein, Maier, et al., 1983LBLHLM
9.2 ± 0.1EIKloster-Jensen, Pascual, et al., 1970RDSH
9.03PEHeilbronner, Hornung, et al., 1970RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CI+16.8 ± 0.1CIEIKloster-Jensen, Pascual, et al., 1970RDSH

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:   Dxh     Symmetry Number σ = 2


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

σg+ 1 CC str 2118  D  ia 2118 VS p solid solid
σg+ 2 CI str 190  D  ia 190 S p solid solid
σu+ 3 CI str 720  D 720 VS solid solid  ia
πg 4 CCI deform 296  D  ia 296 VS dp solid solid
πu 5 CCI deform 132  D 132 M solid solid  ia

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
iaInactive
pPolarized
dpDepolarized
D6~15 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.

Klapstein, Maier, et al., 1983
Klapstein, D.; Maier, J.P.; Zambach, W., Emission spectra of rotationally cooled dihaloacetylene cations in the gas phase: A2Π(Ω,g) → x2Π(Ω,u) band systems, Chem. Phys., 1983, 77, 463. [all data]

Kloster-Jensen, Pascual, et al., 1970
Kloster-Jensen, E.; Pascual, C.; Vogt, J., Mass spectrometric studies of mono- and di-haloacetylenes,, Helv. Chim. Acta, 1970, 53, 2109. [all data]

Heilbronner, Hornung, et al., 1970
Heilbronner, E.; Hornung, V.; Kloster-Jensen, E., Die Photoelektron-Spektren der Dihalogen-acetylene, Helv. Chim. Acta, 1970, 53, 331. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume II, J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]


Notes

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