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

Listing of experimental geometry data for FNO3 (Fluorine nitrate)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
     
Rotational Constants from
Calculated rotational constants for FNO3 (Fluorine nitrate).

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
rNO 1.184 1 3 1994Cas/Dix:8317
rNO 1.507 1 2 1994Cas/Dix:8317
rFO 1.409 2 5 1994Cas/Dix:8317
aONO 117.1 2 1 3 1994Cas/Dix:8317
aONO 108.4 2 1 4 1994Cas/Dix:8317
aONO 134.5 3 1 4 1994Cas/Dix:8317
aNOF 106 1 2 5 1994Cas/Dix:8317
picture of Fluorine nitrate

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
N-O 1
N=O 2
O-F 1

Atom x (Å) y (Å) z (Å)
N1 0.0000 0.6180 0.0000
O2 -0.7093 -0.7117 0.0000
O3 1.1838 0.5978 0.0000
O4 -0.8154 1.4765 0.0000
F5 0.3029 -1.6918 0.0000

Atom - Atom Distances (Å)
  N1 O2 O3 O4 F5
N11.50701.18401.18402.3296
O21.50702.30192.19071.4090
O31.18402.30192.18382.4532
O41.18402.19072.18383.3599
F52.32961.40902.45323.3599

Calculated geometries for FNO3 (Fluorine nitrate).


References
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squib reference DOI
1994Cas/Dix:8317 Casper, B., Dixon, D., Mack, H., Ulic, S., Willner, H., Oberhammer, H., Molecular Structure of Fluorine Nitrate: Dangerous for Experiment and Theory, J. Am. Chem. Soc., Vol. 116, pgs. 8317-8321 10.1021/ja00097a044

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


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