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Listing of experimental geometry data for ClOF3 (Chlorine trifluoride oxide)

No experimental rotational constants available.
Calculated rotational constants for ClOF3 (Chlorine trifluoride oxide).

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
rOCl 1.405 1 2 1982Obe/Chr:273
rFCl 1.603 1 3 1982Obe/Chr:273 equitorial
rFCl 1.713 1 4 1982Obe/Chr:273 axial
aFClO 108.9 2 1 3 1982Obe/Chr:273 equitorial
aFClF 87.9 3 1 4 1982Obe/Chr:273 axial to equitorial
aOClF 94.7 2 1 4 1982Obe/Chr:273 axial F
picture of Chlorine trifluoride oxide

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
O=Cl 1
F-Cl 3
Atom x (Å) y (Å) z (Å)
Cl1 -0.2697 0.0745 0.0000
O2 -0.2531 -1.3304 0.0000
F3 1.2406 0.6117 0.0000
F4 -0.2531 0.2151 1.7071
F5 -0.2531 0.2151 -1.7071

Atom - Atom Distances (Å)
  Cl1 O2 F3 F4 F5
Cl11.40501.60301.71301.7130
O21.40502.45002.30282.3028
F31.60302.45002.30282.3028
F41.71302.30282.30283.4143
F51.71302.30282.30283.4143

Calculated geometries for ClOF3 (Chlorine trifluoride oxide).
References
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squib reference DOI
1982Obe/Chr:273 H Oberhammer, KO Christie "Gas-Phase Structure of Chlorine Trifluoride Oxide, ClF3O" Inorg. Chem. 1982, 21, 273-275 10.1021/ic00131a050

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