Ethene, 1,1-dichloro-

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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 evaluated as indicated in comments:
L - Sharon G. Lias

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
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

Quantity Value Units Method Reference Comment
IE (evaluated)9.81 ± 0.04eVN/AN/AL

Electron affinity determinations

EA (eV) Method Reference Comment
0.099999ECDWiley, Chen, et al., 1991B

Ionization energy determinations

IE (eV) Method Reference Comment
9.83PELake and Thompson, 1970RDSH
9.74PEJonathan, Ross, et al., 1970RDSH
9.86SWalsh, Warsop, et al., 1968RDSH
9.79PIBralsford, Harris, et al., 1960RDSH
10.0PEVon Niessen, Asbrink, et al., 1982Vertical value; LBLHLM
9.99 ± 0.02PEBunzli, Frost, et al., 1976Vertical value; LLK
10.00PEWittel and Bock, 1974Vertical value; LLK

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:   C     Symmetry Number σ = 2


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

a1 1 CH2 s-str 3035  D 3035 W gas 3035 VS p liq. l4 solution
a1 2 CC str 1627  C 1627 VS gas 1616 VS p liq.
a1 3 CH2 scis 1400  C 1400 M gas 1391 M p liq.
a1 4 CCl2 s-str 603  C 603 VS gas 601 VS p liq.
a1 5 CCl2 scis 299  C 299 W gas 299 S p liq.
a2 6 Torsion 686  D  ia 686 M dp liq.
b1 7 CH2 a-str 3130  D 3130 W gas 3130 S dp liq. l4 solution
b1 8 CH2 rock 1095  C 1095 VS gas 1088 VW liq.
b1 9 CCl2 a-str 800  B 800 VS gas 788 M dp liq.
b1 10 CCl2 rock 372  C 372 M gas 375 S dp liq.
b2 11 CH2 wag 875  B 875 S gas 874 W liq.
b2 12 CCl2 wag 460  B 460 S gas 458 M dp liq.

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
VWVery weak
iaInactive
pPolarized
dpDepolarized
B1~3 cm-1 uncertainty
C3~6 cm-1 uncertainty
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.

Wiley, Chen, et al., 1991
Wiley, J.R.; Chen, E.C.M.; Chen, E.S.D.; Richardson, P.; Reed, W.R.; Wentworth, W.E., The Determination of Absolute Electron Affinities of Chlorobenzenes, Chloronaphthalenes and Chlorinated Biphenyls from Reduction Potentials, J. Electroanal. Chem. Interfac., 1991, 307, 1-2, 169, https://doi.org/10.1016/0022-0728(91)85546-2 . [all data]

Lake and Thompson, 1970
Lake, R.F.; Thompson, H., Photoelectron spectra of halogenated ethylenes, Proc. Roy. Soc. (London), 1970, A315, 323. [all data]

Jonathan, Ross, et al., 1970
Jonathan, N.; Ross, K.; Tomlinson, V., The photoelectron spectra of dichloroethylenes, Intern. J. Mass Spectrom. Ion Phys., 1970, 4, 51. [all data]

Walsh, Warsop, et al., 1968
Walsh, A.D.; Warsop, P.A.; Whiteside, J.A.B., Ultra-violet absorption spectrum of 1,1-dichloro ethylene, J. Chem. Soc. Faraday Trans., 1968, 64, 1432. [all data]

Bralsford, Harris, et al., 1960
Bralsford, R.; Harris, P.V.; Price, W.C., The effect of fluorine on the electronic spectra and ionization potentials of molecules, Proc. Roy. Soc. (London), 1960, A258, 459. [all data]

Von Niessen, Asbrink, et al., 1982
Von Niessen, W.; Asbrink, L.; Bieri, G., 30.4 nm He(II) Photoelectron spectra of organic molecules. Part VI. Halogeno-compounds (C,H,X: X = Cl, Br, I), J. Electron Spectrosc. Relat. Phenom., 1982, 26, 173. [all data]

Bunzli, Frost, et al., 1976
Bunzli, J.C.; Frost, D.C.; Herring, F.G.; McDowell, C.A., Assignment of the doublet states arising from ionization of chlorine lone-pairs in molecules possessing C2v symmetry, J. Electron Spectrosc. Relat. Phenom., 1976, 9, 289. [all data]

Wittel and Bock, 1974
Wittel, K.; Bock, H., Photoelektronenspekten und molekuleigenschaften. XXVII. Chlor- und bromathylene- beispiele fur anderungen in π- und σ-Systemen, Chem. Ber., 1974, 107, 317. [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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