What happens when octet-excess electrons cannot relocate into non-bonding regions: ClMe3‡
  • Ten valence electrons for ClMe3
  • Small Rydberg. Cl: 3s1.823p4.614s0.013d0.054p0.01
  • Five NBOs; two weakly C-Cl anti-bonding, 1 non-bonding, two bonding.
  • NBO: Cl bond index; 2.062, C bond index; 3.816
    • ClMe32+: Cl bond index 2.537, Δ 0.475 ≡ 0.95e
    • ClMe32+: 3 Bonding NBOs + 1 lone pair (Octet!).

FAIR Data: 10.14469/hpc/3252 ‡As in e.g. ClF3