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2 (3σ)2 (1π)2 OH 9 K(2σ)2 (3σ)2 (1π)3 HF 10 K(2σ)2 (3σ)2 (1π)4 電子組態(tài) 異核雙原子分子 , HX MO diagram for HF F 2 pF 2 sH 1 s2 ?3 ?1 ?4 ?M a i n l y HM a i n l y FE x c l u s i v e l y FSimplified MO diagram of heteronuclear diatomic molecules A ? B A = B A BzyAyBxAxB2 p 2 p? ?u? ?g? ?g? ?u2 s2 s? ?g? ?u1 s1 s? ?g? ?uA BzyAyBxAx B2 s2 s? ?? ?2 p2 p? ?? ?? ?? ?BeO 12 KK(3σ)2 (4σ)2 (1π)4 CN 13 KK(3σ)2 (4σ)2 (1π)4 (5σ)1 CO 14 KK(3σ)2 (4σ)2 (1π)4 (5σ)2 NO 15 KK(3σ)2 (4σ)2 (1π)4(5σ)2 (2π)1 異核雙原子分子 , YX 等電子規(guī)則 : The MO’s bond formation and electronic configurations are similar among the isoelectronic diatomic molecules. CO is isoelectronic with N2. KK(3σ)2 (4σ)2 (1π)4 (5σ)2 2 s2 s? ?? ?2 p2 p? ?? ?? ?? ?LiH 4 K(2σ)2 BeH 5 K(2σ)2 (3σ)1 CH 7 K(2σ)2 (3σ)2 (1π)1 NH 8 K(2σ)2 (3σ)2 (1π)2 OH 9 K(2σ)2 (3σ)2 (1π)3 HF 10 K(2σ)2 (3σ)2 (1π)4 BeO , BN 12 KK(3σ)2 (4σ)2 (1π)4 CN , BeF 13 KK(3σ)2 (4σ)2 (1π)4 (5σ)1 CO 14 KK(3σ)2 (4σ)2 (1π)4 (5σ)2 NO 15 KK(3σ)2 (4σ)2 (1π)4 (5σ)2 (2π)1 Molecule electrons electronic configuration Simplified MO diagram of heteronuclear diatomic molecules Energy 2s 2s 1?g 1?u 2p 2p 2?g 2?u 1?u 1?g pz HOMO LUMO CO is isoelectronic with N2. KK(3σ)2 (4σ)2 (1π)4 (5σ)2 2 s2 s? ?? ?2 p2 p? ?? ?? ?? ?