●物理化学 3-1 Covalence bond Theory =w%2z=的(1)(2(2)1)d142=5不×全?)2 Hn=9)m(2)(1(2 overlap ∫.()(2,0)+(2)+月(12】1(1m( O=1+ 2R EH+EH +o H12=v1形v2z=(1)(2)(2)(1)d;dr2 ∫(n(2,2)+B(+12】(2m(r SbeH+ sbeh+ a 12R A R R 3 E,=1n=2E,+ o+A H,,-H, E 12=2EH 1+s 12 1+s 1-S 2021/8/21 复旦大学化学系物理化学I 2021/8/21 复旦大学化学系 14 2 2 2 2 3 1         = = + + − R S e R R S12 =  1  2 d =  a (1)b (2)a (2)b (1)d 1 d 2 ab 2 12 11 12 1 2 1 ab I H S Q A E S H H E + + = + + + = 2 12 11 12 1 2 1 ab II H S Q A E S H H E − − = + − − = 11 1 2 1 2 1 2 H   H  d d a b a b ( ) ( ) ˆ ( ) ( )  = overlap   1 2 (1,2) (1) (2) ˆ (2) ˆ (1) ˆ  (1) (2) H H H   d d =  a b a + b + ab a b = EH + EH +Q R e R Q 1 2 1 −       = + 3-1 Covalence bond Theory 12 1 2 1 2 2 1 1 2 H  H d   H  d d a b a b ( ) ( ) ˆ ( ) ( ) ˆ   = =   1 2 (1,2) (2) (1) ˆ (1) ˆ (2) ˆ a (1)b (2) Ha Hb Hab a b d d  = + + = SabEH + SabEH + A 2 2 R e R R A −       = − 3 1 2