Is C_2^+ paramagnetic or diamagnetic? Is C_2 paramagnetic or diamagnetic?

1 Answer
Apr 5, 2016

"C"_2 has a similar MO ordering to "N"_2.

From bottom to top, we have the following valence MOs:

  1. \mathbf(sigma_(2s)), generated from the linear combination 2s_A + 2s_B (head-on, in-phase)
  2. \mathbf(sigma_(2s)^"*"), generated from the linear combination 2s_A - 2s_B (head-on, out-of-phase)
  3. \mathbf(pi_(2p_x)), generated from the linear combination 2p_(x,A) + 2p_(x,B) (sidelong, in-phase)---degenerate with (4)
  4. \mathbf(pi_(2p_y)), generated from the linear combination 2p_(y,A) + 2p_(y,B) (sidelong, in-phase)---degenerate with (3)
  5. \mathbf(sigma_(2p_z)), generated from the linear combination 2p_(z,A) + 2p_(z,B) (head-on, in-phase)
  6. \mathbf(pi_(2p_x)^"*"), generated from the linear combination 2p_(x,A) - 2p_(x,B) (sidelong, out-of-phase)---degenerate with (7)
  7. \mathbf(pi_(2p_y)^"*"), generated from the linear combination 2p_(y,A) - 2p_(y,B) (sidelong, out-of-phase)---degenerate with (6)
  8. \mathbf(sigma_(2p_z)^"*"), generated from the linear combination 2p_(z,A) - 2p_(z,B) (head-on, out-of-phase)

You can see the compatible bonding orbital combinations here (reverse one of the orbitals' signs to achieve the corresponding antibonding orbital combination):

As a result, we have the following MO diagram (with atomic orbital energies from Inorganic Chemistry, Miessler et al., pg. 134):

Thus, with no unpaired electrons, neutral "C"_2 is diamagnetic.

If "C"_2 -> "C"_2^(+) + e^(-), then is "C"_2^(+) paramagnetic or diamagnetic? Paramagnetism requires unpaired electrons.