CHEMISTRY 164, SPRING, 2007



CHEMISTRY 164, SPRING, 2008

ATOMIC UNITS AND CONVERSION FACTORS

I) Atomic unit of distance

1 Bohr (a0) = 0.529177249 Ångstrom

II) Atomic unit of charge

1 electron = 1.602188 x 10-19 Coulomb = F/NA

III) Atomic unit of mass

1 atomic mass unit (u) = 1.6605402 x 10-27 Kg = (0.012 Kg)/NA

IV) Atomic unit of energy

1 Hartree = 627.5095 kcal/mol

= 2625.550 kJ/mol

= 4.3597482 x 10-18 J/particle

= 27.2116 electron Volt

V) Atomic unit of dipole moment

1 Bohr-electron = 2.541765 Debye

The Wikipedia entry for atomic units is instructive.

Atomic_units.doc, 25 Jan. 2008

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