Ethane, 1,2-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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
IE (evaluated)11.07 ± 0.04eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
11.05PIBerman, Anicich, et al., 1979LLK
11.04PEBerman, Anicich, et al., 1979LLK
11.12 ± 0.05PIWatanabe, Nakayama, et al., 1962RDSH
11.40 ± 0.10PEGan, Peel, et al., 1977Vertical value; Trans conformer; LLK
11.22 ± 0.02PEChau and McDowell, 1975Vertical value; LLK
11.39 ± 0.03PERaymonda, Edwards, et al., 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH2Cl+12.5 ± 0.1CH2ClEIHarrison and Shannon, 1962RDSH
C2H3Cl+11.1?PIBerman, Anicich, et al., 1979LLK

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

Trans form     Symmetry:   C2h     Symmetry Number σ = 2


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

ag 1 CH2 s-str 2957  D  ia 2957 p liq.
ag 2 CH2 scis 1445  C  ia 1445 dp liq.
ag 3 CH2 wag 1304  C  ia 1304 p liq.
ag 4 CC str 1052  C  ia 1052 p liq.
ag 5 CCl str 754  C  ia 754 p liq.
ag 6 CCCl deform 300  C  ia 300 p liq.
au 7 CH2 a-str 3005  D 3005 W liq.  ia SF()gauche ν1, gauche ν11
au 8 CH2 twist 1123  B 1122.5 W gas  ia
au 9 CH2 rock 773  B 772.5 M gas  ia
au 10 Torsion 123  C 123 M gas  ia
bg 11 CH2 a-str 3005  D  ia 3005 dp liq.
bg 12 CH2 twist 1264  C  ia 1264 dp liq.
bg 13 CH2 rock 989  C  ia 989 p liq.
bu 14 CH2 s-str 2983  C 2983.3 M gas  ia
bu 15 CH2 scis 1461  A 1460.6 S gas  ia
bu 16 CH2 wag 1232  B 1232.3 S gas  ia
bu 17 CCl str 728  C 728.3 VS gas  ia
bu 18 CCCl deform 222  C 222.3 W gas  ia

Source: Shimanouchi, 1972

Gauche form     Symmetry:   C2     Symmetry Number σ = 2


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

a 1 CH2 a-str 3005  D 3005 W liq. 3005 dp liq. SF11, )trans ν7
a 2 CH2 s-str 2957  D 2957 M liq. 2957 p liq. SF()trans ν1, trans ν14
a 3 CH2 scis 1433  C 1433 M liq. 1429 dp liq. OV13)
a 4 CH2 wag 1315  C 1315 W gas 1304 liq.
a 5 CH2 twist 1207  C 1207 p liq.
a 6 CC str 1027  D 1027 W gas 1031 dp liq.
a 7 CH2 rock 948  B 947.7 M gas 943 p liq.
a 8 CCl str 669  C 669 M gas 654 p liq.
a 9 CCCl deform 272  D 272 VW liq. 265 p liq.
a 10 Torsion 125 liq.
b 11 CH2 a-str 3005  D 3005 W gas 3005 dp liq. SF1, )trans ν7
b 12 CH2 s-str 2957  C 2957.2 W gas
b 13 CH2 scis 1436  B 1436.3 W gas
b 14 CH2 wag 1292  B 1292.1 S gas
b 15 CH2 twist 1146  D 1146 W gas 1145 dp liq.
b 16 CH2 rock 890  B 890.3 M gas 881 dp liq.
b 17 CCl str 693  B 692.5 W gas 677 dp liq.
b 18 CCCl deform 410  C 409.6 M gas 411 dp liq.

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
VWVery weak
iaInactive
pPolarized
dpDepolarized
SFCalculation shows that the frequency approximately equals that of the vibration indicated in the parentheses.
OVOverlapped by band indicated in parentheses.
A0~1 cm-1 uncertainty
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.

Berman, Anicich, et al., 1979
Berman, D.W.; Anicich, V.; Beauchamp, J.L., Stabilities of isomeric halonium ions C2H4X+ (X = Cl, Br) by photoionization mass spectrometry iand on cyclotron resonance spectroscopy. General considerations of the relative stabilities of cyclic and acyclic isomeric onium ions, J. Am. Chem. Soc., 1979, 101, 1239. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Gan, Peel, et al., 1977
Gan, T.H.; Peel, J.B.; Willett, G.D., Photoelectron spectra of the gauche and trans conformers of 1,2-dichloroethane, J. Chem. Soc. Faraday Trans. 2, 1977, 73, 965. [all data]

Chau and McDowell, 1975
Chau, F.T.; McDowell, C.A., Photoelectron spectra of 1,2 dichloro-, 1,2 dibromo- and 1,2 diiodo-ethane, J. Electron Spectrosc. Relat. Phenom., 1975, 6, 365. [all data]

Raymonda, Edwards, et al., 1974
Raymonda, J.W.; Edwards, L.O.; Russell, B.R., Vacuum ultraviolet absorption spectra of some chloroalkanes, J. Am. Chem. Soc., 1974, 96, 1708. [all data]

Harrison and Shannon, 1962
Harrison, A.G.; Shannon, T.W., An electron impact study of chloromethyl and dichloromethyl derivatives, Can. J. Chem., 1962, 40, 1730. [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