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

Listing of experimental geometry data for NF2 (Difluoroamino radical)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
2.35147 0.39601 0.33810
Rotational Constants from 1984Dav/Ham:445
Calculated rotational constants for NF2 (Difluoroamino radical).

Point Group C2v

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
rNF 1.370 1 2 1966Herzberg !assumed
aFNF 104.2 2 1 3 1966Herzberg
picture of Difluoroamino radical

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

Atom x (Å) y (Å) z (Å)
N1 0.0000 0.0000 0.6059
F2 0.0000 1.0810 -0.2356
F3 0.0000 -1.0810 -0.2356

Atom - Atom Distances (Å)
  N1 F2 F3
N11.37001.3700
F21.37002.1621
F31.37002.1621

Calculated geometries for NF2 (Difluoroamino radical).


References
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squib reference DOI
1966Herzberg Herzberg, G., Electronic spectra and electronic structure of polyatomic molecules,Van Nostrand,New York, 1966  
1984Dav/Ham:445 Davies, P.B.; Hamilton, P.A.; Lweis-Bevan, W.; Russell, D.K. "Infrared laser spectroscopy of free radicals and ions." Proc. R. Soc. London. A 392, 445-455 (1984) 10.1098/rspa.1984.0041

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