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(localized orbital)MO(delocalized
orbital)Be2O2
(molecular orbital)
(delocalization)
1s
A
B(overlap)
((A
+B)^2 > A^2 + B^2)(bonding orbital)
(
(nonbonding orbital))
1s
sigmasigma 1s()
(node)0
1s
sigma 1s*(1s*())
H2
sigma 1ssigma 1s 2(2)
sigma 1s 2 sigma 1s*2
He2
PauliHund
z)
spz => sigma spsigma sp*
pzpz() => sigma psigma p*
pxpx(pypy) => pi ppi p*
(bond order)1/2( - )
H21()
He20()
H2+He2+.....
O2
(
)