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 |
|
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
| 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 |
| N1 | | 1.3700 | 1.3700 |
|---|
| F2 | 1.3700 | | 2.1621 |
|---|
| F3 | 1.3700 | 2.1621 | |
|---|
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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