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Listing of experimental geometry data for C2H2ClF (1-chloro-1-fluoroethylene)

Rotational Constants (cm-1)


See section I.F.4 to change rotational constant units
A B C
0.35630 0.17019 0.11502
Rotational Constants from 1993Alo/Les:4
Calculated rotational constants for C2H2ClF (1-chloro-1-fluoroethylene).

Point Group Cs

Internal coordinates

(distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)
Description Value Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rCC 1.327 1 2 2009Leu/Mar:116
rCCl 1.704 1 4 2009Leu/Mar:116
rCF 1.341 1 3 2009Leu/Mar:116
rCH 1.080 1 6 2009Leu/Mar:116 Cl side
rCH 1.082 2 5 2009Leu/Mar:116 F side
aCCCl 126.29 2 1 4 2009Leu/Mar:116
aCCF 121.75 2 1 3 2009Leu/Mar:116
aHCC 119.18 1 2 6 2009Leu/Mar:116 Cl side
aHCC 119.25 2 1 3 2009Leu/Mar:116 F side
picture of 1-chloro-1-fluoroethylene

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
C=C 1
C-F 1
C-Cl 1
H-C 2
Atom x (Å) y (Å) z (Å)
C1 0.0000 0.4410 0.0000
C2 -0.9843 1.3306 0.0000
F3 1.2883 0.8139 0.0000
Cl4 -0.1727 -1.2544 0.0000
H5 -0.7454 2.3858 0.0000
H6 -2.0075 0.9840 0.0000

Atom - Atom Distances (Å)
  C1 C2 F3 Cl4 H5 H6
C11.32671.34121.70422.08272.0796
C21.32672.33062.70941.08191.0803
F31.34122.33062.53232.57033.3002
Cl41.70422.70942.53233.68502.8943
H52.08271.08192.57033.68501.8863
H62.07961.08033.30022.89431.8863

Calculated geometries for C2H2ClF (1-chloro-1-fluoroethylene).
References
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squib reference DOI
1993Alo/Les:4 JL Alonso, AG Lesarri, LA Leal, JC Lopez "The Millimeter-Wave Spectra of 1-Chloro-1-fluoroethylene and cis-1-chloro-2-fluoroethylene" J. Mol. Spect. 162, 4-19 (1993) 10.1006/jmsp.1993.1265
2009Leu/Mar:116 HO Leung, MD Marshall, AL Vasta, NC Craig "Microwave spectra of eigth isotopic modifications of 1-chloro-1-fluoroethylene" J. Mol. Spect. 253 (2009) 116-121 10.1016/j.jms.2008.11.002

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