THUYẾT VÂN ĐẠO PHÂN TỬ MOLECULAR ORBITAL (MO)
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Ví duï:<br />
Toå hôïp tuyeán tính AO s cuûa ngtöû A vaø AO p cuûa ngtöû B thu<br />
ñöôïc 2 <strong>MO</strong> laø ψ 1<br />
vaø ψ 2<br />
.<br />
Giaû söû: Phaàn ñoùng goùp ψ sA ψ pB<br />
trong ψ 1<br />
c 1A<br />
= 0,5 c 1B<br />
= 0,6<br />
trong ψ 2<br />
c 2A<br />
= 0,5 c 2B<br />
= 0,4<br />
Ñieàu kieän chuaån hoùa: c 2 1A + c2 2A = 1 c2 1B + c2 2B = 1<br />
Ta coù:<br />
ψ 1<br />
= 0,7071ψ sA + 0,7746ψ pB<br />
ψ 2<br />
= 0,7071ψ sA + 0,6325ψ pB<br />
30
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