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本文报道了[(α-FDO)CuCl_2]_2·C_2H_5OH的制备和晶体结构.晶体属于三斜晶系,空间群P1,晶胞参数α=6.038(1),b=10.912(2),c=12.167(2)A;α=114.13°,β=96.23°,γ=98.08°;V=712.1(4)A~3,Z=1;D_m=1.73,D_c=1.75g·cm~(-3),R=0.070.在晶体中,分子通过Cl桥形成双聚体.利用晶体结构数据,进行了EHMO计算,并对分子的成键情况进行了讨论.指出了二甲酰肟与金属Cu(II)形成的五员螯合环呈平面构型的原因.主要是与环上的N=C双键的存在有关,而并不是由于形成了环型π-轨道.
In this paper, the preparation and crystal structure of [(α-FDO) CuCl_2] _2 · C_2H_5OH have been reported. The crystal belongs to the triclinic system with space group P1 with unit cell parameters α = 6.038 (1), b = 10.912 (2) 12.167 A = α = 114.13 ° β = 96.23 ° γ = 98.08 ° V = 712.1 (4) A~3, Z = 1 D_m = 1.73 D_c = 1.75 g · cm -3 , R = 0.070. In the crystal, the molecule forms a dimer through the Cl bridge.Using the crystal structure data, the EHMO calculation is carried out, and the bond formation of the molecule is discussed.It is pointed out that the interaction between the dimethyloxime and the metal Cu (II ) Formed five-membered chelating ring planar configuration is mainly due to the existence of the ring N = C double bond, but not because of the formation of a ring π-orbit.