Listing of experimental geometry data for CH3CHF2 (Ethane, 1,1-difluoro-)
Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
| A |
B |
C |
| 0.31662 |
0.29896 |
0.17247 |
Rotational Constants from
1954Sol/Dai:2042
Calculated rotational constants
for CH3CHF2 (Ethane, 1,1-difluoro-).
Point Group Cs
Internal coordinates (distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
| Bond Type |
Count |
| C-C |
1 |
| C-F |
2 |
| H-C |
4 |
| Atom |
x (Å) |
y (Å) |
z (Å) |
| C1
| 0.0000
| 0.3353
| 0.0000
|
| C2
| -1.3064
| -0.3978
| 0.0000
|
| H3
| -0.1560
| 1.4049
| 0.0000
|
| F4
| 0.7182
| 0.0406
| 1.1215
|
| F5
| 0.7182
| 0.0406
| -1.1215
|
| H6
| -1.1503
| -1.4675
| 0.0000
|
| H7
| -1.8919
| -0.1460
| 0.8731
|
| H8
| -1.8919
| -0.1460
| -0.8731
|
Atom - Atom Distances (Å)
| |
C1 |
C2 |
H3 |
F4 |
F5 |
H6 |
H7 |
H8 |
| C1 | | 1.4980 | 1.0810 | 1.3640 | 1.3640 | 2.1385 | 2.1385 | 2.1385 |
|---|
| C2 | 1.4980 | | 2.1385 | 2.3556 | 2.3556 | 1.0810 | 1.0810 | 1.0810 |
|---|
| H3 | 1.0810 | 2.1385 | | 1.9707 | 1.9707 | 3.0397 | 2.4862 | 2.4862 |
|---|
| F4 | 1.3640 | 2.3556 | 1.9707 | | 2.2430 | 2.6502 | 2.6286 | 3.2903 |
|---|
| F5 | 1.3640 | 2.3556 | 1.9707 | 2.2430 | | 2.6502 | 3.2903 | 2.6286 |
|---|
| H6 | 2.1385 | 1.0810 | 3.0397 | 2.6502 | 2.6502 | | 1.7489 | 1.7489 |
|---|
| H7 | 2.1385 | 1.0810 | 2.4862 | 2.6286 | 3.2903 | 1.7489 | | 1.7462 |
|---|
| H8 | 2.1385 | 1.0810 | 2.4862 | 3.2903 | 2.6286 | 1.7489 | 1.7462 | |
|---|
Calculated geometries
for CH3CHF2 (Ethane, 1,1-difluoro-).
References
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| squib |
reference |
DOI |
| 1954Sol/Dai:2042 |
Solimene, N.; Dailey, B.P. "Microwave Spectrum of 1,1-Difluoroethane." Journal of Physical Chemistry. 22, 2042-2044 (1954) |
10.1063/1.1739988 |
| 1980Bea/Jon:105 |
Beagly, B., Jones, M., Houldsworth, N., A Gas-Phase Electron Diffraction Study of the Molecular Structure of 1,1-Difluoroethane, J. of Mol. Struct., Vol. 62, pgs. 105-109 |
10.1016/0022-2860(80)85228-8 |
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