|
|
II.A.1. (XV.A.) |
| Other names |
|---|
| Hydrogen fluoride dimer; |
| INChI | SMILES | IUPAC name |
|---|---|---|
| InChI=1/F2H2/c1-3-2/h1H | F.F |
| State | Conformation |
|---|---|
| 1Ag |
| Property | Value | Uncertainty | units | Reference | Comment |
|---|---|---|---|---|---|
Hfg(298.15K) ![]() |
-569.92 | 4.00 | kJ mol-1 | Gurvich | |
Hfg(0K) ![]() |
-566.50 | 4.00 | kJ mol-1 | Gurvich | |
Entropy (298.15K) ![]() |
260.90 | J K-1 mol-1 | Gurvich | ||
Integrated Heat Capacity (0 to 298.15K) ![]() |
13.87 | kJ mol-1 | Gurvich | ||
Heat Capacity (298.15K) ![]() |
58.13 | J K-1 mol-1 | Gurvich |
| Mode Number | Symmetry | Frequency (cm-1) | Frequency Reference | Intensity (km mol-1) | Int. unc. | Intensity Reference | Comment |
|---|
| A | B | C | reference | comment |
|---|---|---|---|---|
Product of moments of inertia ![]() | ||||
|---|---|---|---|---|
| amu3Å6 | 0 | gm3 cm6 | ||
Point Group Cs
Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees
| Description | Value | unc. | Connectivity | Reference | Comment | |||
|---|---|---|---|---|---|---|---|---|
| Atom 1 | Atom 2 | Atom 3 | Atom 4 | |||||
| rFF | 2.780 | 2 | 4 | 1998Kuc | r0 value | |||
| aHFF | 117 | 3 | 2 | 4 | 1998Kuc | |||
| aHFF | 10 | 1 | 4 | 2 | 1998Kuc | |||
Cartesians
| Atom | x (Å) | y (Å) | z (Å) |
|---|
Atom - Atom Distances
Distances in Å
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
| Bond Type | Count |
|---|---|
| H-F | 2 |
Connectivity
| Atom 1 | Atom 2 |
|---|---|
| H1 | H3 |
| H1 | F4 |
| F2 | H3 |
| Energy (cm-1) | Degeneracy | reference | description |
|---|---|---|---|
| 0 | 1 | 1Ag |
| squib | reference | DOI |
|---|---|---|
| 1998Kuc | K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998 | |
| Gurvich | Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989 | 10.1351/pac198961061027 |
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