equal footing. H2+ 3 : φ = 1 √ 3(1+2S) (1sa + 1sb + 1sc ) Q = 1/3 1/3 1/3 1/3 1/3 1/3 1/3 1/3 1/3 a b c a b c a b c Na = 1/3 Nab = 1/32 = 1/9 Nabc = 2 × 1/33 = 2/27 Three center delocalization (bonding). The number of delocalization channels is important. AMP (QCG@UniOvi) M2 2013 Sep 2013 6 / 6
equal footing. H2+ 3 : φ = 1 √ 3(1+2S) (1sa + 1sb + 1sc ) Q = 1/3 1/3 1/3 1/3 1/3 1/3 1/3 1/3 1/3 a b c a b c a b c Na = 1/3 Nab = 1/32 = 1/9 Nabc = 2 × 1/33 = 2/27 Three center delocalization (bonding). The number of delocalization channels is important. AMP (QCG@UniOvi) M2 2013 Sep 2013 6 / 6
equal footing. H2+ 3 : φ = 1 √ 3(1+2S) (1sa + 1sb + 1sc ) Q = 1/3 1/3 1/3 1/3 1/3 1/3 1/3 1/3 1/3 a b c a b c a b c Na = 1/3 Nab = 1/32 = 1/9 Nabc = 2 × 1/33 = 2/27 Three center delocalization (bonding). The number of delocalization channels is important. AMP (QCG@UniOvi) M2 2013 Sep 2013 6 / 6