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II.A.1. (XV.A.) |
| INChI | SMILES | IUPAC name |
|---|---|---|
| InChI=1S/K.Li | [Li][K] |
| State | Conformation |
|---|---|
| 1Σ | C*V |
| Property | Value | Uncertainty | units | Reference | Comment |
|---|
| Mode Number | Symmetry | Frequency (cm-1) | Frequency Reference | Intensity (km mol-1) | Int. unc. | Intensity Reference | Comment |
|---|---|---|---|---|---|---|---|
| 1 | Σ | 207 | webbook |
| A | B | C | reference | comment |
|---|---|---|---|---|
| 0.26500 | webbook | estimated |
Product of moments of inertia ![]() | ||||
|---|---|---|---|---|
| 63.6137 | amu Å2 | 1.056347E-38 | gm cm2 | |
Point Group C∞v
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 | |||||
| rLiK | 3.270 | 1 | 2 | webbook | ||||
Cartesians
| Atom | x (Å) | y (Å) | z (Å) |
|---|---|---|---|
| Li1 | 0.0000 | 0.0000 | 0.0000 |
| K2 | 0.0000 | 0.0000 | 3.2700 |
Atom - Atom Distances
Distances in Å
| Li1 | K2 | |
|---|---|---|
| Li1 | 3.2700 | |
| K2 | 3.2700 |
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
| Bond Type | Count |
|---|---|
| Li-K | 1 |
Connectivity
| Atom 1 | Atom 2 |
|---|---|
| Li1 | Li1 |
| Energy (cm-1) | Degeneracy | reference | description |
|---|
| Dipole (Debye) | Reference | comment |
|---|---|---|
| 3.450 | webbook |
| squib | reference | DOI |
|---|---|---|
| webbook | NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) |
Got a better number? Please email us at
cccbdb@nist.gov
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