作者alexdaking (我的我的我的我的我的)
站内Chemistry
标题[问题]一题关於MO的问题
时间Mon Nov 12 13:42:04 2007
已经有解答了
可是还是看不懂
後天就要考试了
所以希望有人可以帮忙解释一下
谢谢
已经知道做这题要先看SO3的point group然後他是D3h
character table of D3h
E 2C3 3C'2 σh 2S3 3σv linear,rotations quadratic
A'1 1 1 1 1 1 1 x^2+y^2, z^2
A'2 1 1 -1 1 1 -1 Rz
E' 2 -1 0 2 -1 0 (x, y) (x^2-y^2, xy)
A''1 1 1 1 -1 -1 -1
A''2 1 1 -1 -1 -1 1 z
E'' 2 -1 0 -2 1 0 (Rx, Ry) (xz, yz)
题目:Describe the bonding in SO3 by using group theory to find the molecular
orbitals. Include both the σ and π orbitals, and try to put the resulting
orbitals in an approximate order of energy.
(The actual results are more complex because of mixing of orbitals.)
答案: Oxygen LGO’s Sulfur orbitals
σ (2s)A1’ + E’ s, px, and py
σ (2py) A1’ + E’ s, px, and py
π1 (2px) A2’ + E’ none
π2 (2pz) A2” + E” pz
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※ 编辑: alexdaking 来自: 203.73.49.151 (11/12 14:31)
1F：推 theory:喔..还好没要你画出 MO 形状..不然就考到精随了 11/12 23:08
2F：推 messboy:你就先订座标 然後用不动原理解σ π振动MODE 去对徵表 11/13 22:56