How do I draw the MO diagrams for #"O"_2^-# and #"CO"^(+)# and find out which one is paramagnetic?

1 Answer
Aug 15, 2017

Well, the MO diagrams for #"O"_2# and #"CO"# (i.e. both neutral compounds) are below.

  • For #ul("O"_2^(-))#, just take the MO diagram of #"O"_2# and add one electron into the #pi_(2px)^"*"# antibonding molecular orbital.
  • For #ul("CO"^(+))#, just take out one of the electrons from the #3sigma# HOMO from the MO diagram of #"CO"#.

http://www.grandinetti.org/

Inorganic Chemistry, Miessler et al. Ch. 5.3, Figure 5.13

Both substances are paramagnetic, as they have at least one unpaired electron in a given orbital. #"O"_2^(-)# has the unpaired electron in a #pi^"*"# antibonding orbital, and #"CO"^(+)# has the unpaired electron in a #sigma# bonding orbital.

The unpaired electron orients itself in the direction of an applied magnetic field, and gives rise to a total magnetic moment #mu_(S+L) = 2.00023sqrt(S(S+1) + 1/4L(L+1))# in units of #"Bohr Magnetons"#. It is a function of

  • the total electron spin #S = |sum_i m_(s,i)|#
  • the total orbital angular momentum #L = |sum_i m_(l,i)|#

for the #i#th electron, where #m_l# and #m_s# are the angular momentum and spin quantum numbers, respectively.

The total magnetic moment is a value that can be obtained experimentally from magnetic susceptibility measurements.