return to home page

II.A.3. (XII.A.1.)

Listing of experimental geometry data for ClFO3 (Perchloryl fluoride)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
0.18709 0.17541 0.17541
Rotational Constants from 1991Bur/Bur:65
Calculated rotational constants for ClFO3 (Perchloryl fluoride).

Point Group C3v

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
rFCl 1.598 1 2 1991Bur/Bur:65 re value
rClO 1.400 2 3 1991Bur/Bur:65 re value
aOClO 115.3 3 2 4 1991Bur/Bur:65
aOClF 102.71 1 2 3 1991Bur/Bur:65 from symmetry
picture of Perchloryl fluoride

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
O=Cl 3
F-Cl 1

Atom x (Å) y (Å) z (Å)
F1 0.0000 0.0000 -1.4582
Cl2 0.0000 0.0000 0.1398
O3 0.0000 1.3657 0.4478
O4 -1.1827 -0.6828 0.4478
O5 1.1827 -0.6828 0.4478

Atom - Atom Distances (Å)
  F1 Cl2 O3 O4 O5
F11.59802.34482.34482.3448
Cl21.59801.40001.40001.4000
O32.34481.40002.36552.3655
O42.34481.40002.36552.3655
O52.34481.40002.36552.3655

Calculated geometries for ClFO3 (Perchloryl fluoride).


References
By selecting the following links, you may be leaving NIST webspace. We have provided these links to other web sites because they may have information that would be of interest to you. No inferences should be drawn on account of other sites being referenced, or not, from this page. There may be other web sites that are more appropriate for your purpose. NIST does not necessarily endorse the views expressed, or concur with the facts presented on these sites. Further, NIST does not endorse any commercial products that may be mentioned on these sites. Please address comments about this page to cccbdb@nist.gov.
squib reference DOI
1991Bur/Bur:65 Burczyk, K.; Burger, H. "High-Resolution FTIR and Millimeter-Wave Study of FClO3: Ground State Rotational Constants Including A, Structure, and the (nu)2, (nu)3, (nu)5, and (nu)6 Excited States." Journal of Molecular Spectroscopy. 148, 65-79 (1991) 10.1016/0022-2852(91)90035-9

Got a better number? Please email us at cccbdb@nist.gov


Browse
PreviousNext