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报道了双(1-正戊基环己基茂)二氯化钛[(η5-C5H4C(CH2)5(C5H11-n]2TiCl2(I)及双(1-甲基-1-(α-噻吩基)乙基环戊二烯基)二氯化钛[η ̄5-C5H4C(CH3)_2-]2TiCl2(Ⅱ)的晶体结构和分子结构。二者均系单斜晶系,(I)的空间群为P2/n,晶胞参数a=14.180(2),b=6.562(1),c=17.046(3),β=99.63(1)°,Z=2,V=1563.8,Dx=1.188g/cm3,F(000)=596,Mr=553.56,λ=0.71073μ=4.59cm-1,R=0.058,Rw=0.066;(1)的空间群为C2/c,晶胞参数a=25.713(1),b=6.617(1),c=13.591(1),β=92.78(2)°,Z=4,V=2309.8,Dx=1.430g/cm3,Mr=497.41,λ=0.71073,μ=7.822cm-1,F(000)=1032,R=0.055,Rw=0.072。茂环上取代基对茂环金属化合物的结构产生较大影响,空间阻碍的增大使得取代基与茂环相连C-C单键增长。
Reported the synthesis of titanium (II) complexes of bis (1-n-pentylcyclohexyl) titanium dichloride [(η5-C5H4C (CH2) 5 (C5H11-n] ) Ethylcyclopentadienyl) titanium dichloride [η¯5-C5H4C (CH3) _2-] 2TiCl2 (Ⅱ), both of which are monoclinic, the space of (I) Group is P2 / n, cell parameters a = 14.180 (2), b = 6.562 (1), c = 17.046 (3), β = 99.63 (1) °, Z = V = 1563.8, Dx = 1.188g / cm3, F (000) = 596, Mr = 553.56, λ = 0.71073μ = 4.59cm-1, R = 0.058, Rw = ; (1) The space group is C2 / c, the unit cell parameters a = 25.713 (1), b = 6.617 (1), c = 13.591 (1), β = 92. 78 (2) °, Z = 4, V = 2309.8, Dx = 1.430 g / cm3, Mr = 497.41, λ = 0.71073, μ = 7.822 cm -1, F (000) = 1032 , R = 0.055, Rw = 0.072. The substituents on the epicyclic ring have a great influence on the structure of the metallocene compounds. The increase of the steric hindrance leads to the increase of C-C single bonds between the substituents and the ring.