IV.D.4. (XII.A.2.) |
Compare Angles
Click on entry for experimental details.
Species | Name | Experimental Angle | Calculated Angle | Difference |
---|---|---|---|---|
NF2 | Difluoroamino radical | 104.2 | 107.6 | -3.4 |
NF3 | Nitrogen trifluoride | 102.4 | 101.4 | 0.9 |
NF3 | Nitrogen trifluoride | 102.4 | 101.4 | 1.0 |
NHF2 | difluoramine | 102.9 | 103.8 | -0.9 |
F3NO | Nitrogen trifluoride oxide | 100.8 | 100.7 | 0.1 |
B97D3/3-21G for aFNF
Histogram of angle differences (in degrees) vs number of species
Differences greater than 2.5 are in the 2.5 bin. Differences less than -3.5 are in the -3.5 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-3.5 | -3 | -2.5 | -2 | -1.5 | -1 | -0.5 | 0 | 0.5 | 1 | 1.5 | 2 | 2.5 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | NF2 | Difluoroamino radical | -3.4 |
Most positive difference | NF3 | Nitrogen trifluoride | 1.0 |