1 electron-volt [eV] = 11604.5250061657 kelvin [K]
https://www.translatorscafe.com/unit-converter/en/energy/11-65/electron-volt-kelvin/
Constants and Conversion Units
| constant | value |
|---|---|
| h (Planck’s constant) | 6.6260755*10-34 J s |
| kB (Boltzman’s constant) | 1.380658*10-23 J K-1 |
| NA (Avogadro’s number) | 6.0221367*1023 mol-1 |
| c (speed of light) | 2.99792458*1010 cm s-1 |
| ao (Bohr radius) | 5.29177249*10-11 m |
| e (charge of electron) | 1.60217733*10-19 Coul |
| unit | conversion factor |
|---|---|
| 1 Debye | 3.336*10-30 Coul m |
| 1 eV | 1.60217733*10-19 J |
| 1 Hartree | 4.3597482*10-18 J |
| 1 Hartree | 627.509 kcal mol-1 |
| 1 Hartree | 27.2116 eV |
| 1 kcal mol-1 | 4.184 J mol-1 |
| 1 Electron volt | 23.06035 kcal mol-1 |
| 1 Bohr | 0.529177249 Angstroms |
| ZPVE (Hartree) | 2.27817*10-6 * vib. wavenumber (cm-1) |
| vibrational temperatur Tv (K) | 1.43877 * vib. wavenumber (cm-1) |
| 1 unit = | hartree | kJ mol-1 | kcal mol-1 | eV | cm-1 |
| hartree | 1 | 2625.50 | 627.51 | 27.212 | 2.1947×105 |
| kJ mol-1 | 3.8088×10-4 | 1 | 0.23901 | 1.0364×10-2 | 83.593 |
| kcal mol-1 | 1.5936×10-3 | 4.1840 | 1 | 4.3363×10-2 | 349.75 |
| eV | 3.6749×10-2 | 96.485 | 23.061 | 1 | 8065.5 |
| cm-1 | 4.5563×10-6 | 1.1963×10-2 | 2.8591×10-3 | 1.2398×10-4 | 1 |
如氩分子的能量参数 εar=1.645*10-21J；单位转化为K则为，11604.5250061657/1.60217733*10-19(K/J)*1.645*10-21J=119.8K
单位转化为kcal mol-1则为，1.645*10-21J/个*6.022*1023个/mol/4.184(cal/J)/1000=0.238 kcal/mol
1 kcal/mol=119.8/0.238 K=503.23 K