Rick's Cheat Sheet
Energy Conversion Factors
1 kcal/mol =
- 0.04336 eV
- 0.00159 h
- 349.75 cm-1
- 6.948e-14 erg
- 4.184 kJ/mol
1 eV =
- 23.06 kcal/mol
- 0.03675 h
- 8065.6 cm-1
- 1.602e-12 erg
1 h =
- 627.51 kcal/mol
- 27.212 eV
- 219,474.6 cm-1
- 4.36e-11 erg
- 2 Ry
1 erg =
- 1.439e13 kcal/mol
- 6.2415e11 eV
- 2.2937e10 h
- 5.034e15 cm-1
Colors of Light
Visible:
| Color | nm | eV | cm-1 |
|---|
| Red | 700 nm | 1.77 eV | 14,300 cm-1 |
| Orange | 620 nm | 2.00 eV | 16,100 cm-1 |
| Yellow | 580 nm | 2.14 eV | 17,300 cm-1 |
| Green | 530 nm | 2.34 eV | 18,900 cm-1 |
| Blue | 470 nm | 2.64 eV | 21,300 cm-1 |
| Violet | 420 nm | 2.95 eV | 23,800 cm-1 |
All wavelengths
| Type | nm | eV | cm-1 |
|---|
| Radio | 3e12 - 3e8 | 4e-10 - 4e-6 | 3e-6 - 3e-2 |
| Microwaves | 3e8 - 3e6 | 4e-6 - 4e-4 | 3e-2 - 3 |
| Far IR | 3e6 - 3e4 | 4e-4 - 4e-2 | 3 - 300 |
| Near IR | 3e4 - 700 | 4e-2 - 2 | 300 - 15,000 |
| Visible | 700 - 420 | 2 - 3 | 15,000 - 24,000 |
| Near UV | 420 - 300 | 3 - 4 | 24,000 - 30,000 |
| Vac UV | 300 - 3 | 4 - 400 | 30,000 - 3e6 |
| X-rays | 3 - 0.003 | 400 - 4e5 | 3e6 - 3e9 |
Free Energies
del(G) = RT ln(K)
del(G1) - del(G2) = RT ln(K1/K2)
deldel(G) = 1 kcal/mol <=> K1/K2 = 5.4
K1/K2 = 10^1 <=> ddG = 1.36
K1/K2 = 10^2 <=> ddG = 2.76
K1/K2 = 10^4 <=> ddG = 5.53
K1/K2 = 10^6 <=> ddG = 8.29
del G = 1.36 * (pKa1 - pKa2)
Atomic Units
| Length | Bohr radius, a0 | 0.52918 A |
| Force Constant | 1 au | 1.5569e6 dyn/cm |
| Mass | au, me | 9.1095e-31 kg |
| | 5.5e-4 amu |
| amu, m(12C)/12 | 1.66e-27 kg |
| | 1822 au |
| Time | au | 2.4189e-17 s |
| Dipole Moment | au | 2.54 D |
| | 8.478e-30 C-m |
Miscellaneous
Force constants
1 dyn/cm = 1.44e-3 kcal/mol/A^2
1 Mdyn/cm = 1440 (kcal/mol)/A^2
Thermal
kT (298 K) = 9.4366 e-4 h
RT (298 K) = 2.4789 kJ/mol = 0.5925 kcal/mol
e^2 = 14.3998 eV-A = 332.059 (kcal/mol)-A